A0A087XQ95_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087XQ95, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	36.8	Very low	31.1	Very low	176 Å²	176	152.8 Å²	152.8	100%	1.143	81%	0.806	S	S	*	*				0	104.1	0	16.6	6.9	0	0	0	110.7
2	H	24.9	Very low	31.3	Very low	191 Å²	191	156.2 Å²	156.2	88%	0.884	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-81.8	135.9	177.8	-62.8	-87	0	0	0	110.4
3	P	31.2	Very low	31.8	Very low	107 Å²	107	156.5 Å²	156.5	70%	0.695	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-66.6	148.5	159.5	31	-33.2	0	0	0	109.3	L5	P3-L5 PolarHBondContact O-N 3.29Å
4	P	31.5	Very low	32.5	Very low	106 Å²	106	150.8 Å²	150.8	69%	0.688	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.8	121.8	-173.9	26.4	-33.8	0	0	0	112.1	F6	P4-F6 HydrophobicContact CB-CD2 4.5Å; P4-F6 HydrophobicContact CB-CE2 4.33Å; P4-F6 HydrophobicContact CG-CE2 4.2Å; P4-F6 PolarHBondContact O-N 3Å
5	L	31.6	Very low	33.2	Very low	149 Å²	149	142.8 Å²	142.8	78%	0.78	75%	0.754	S	S	*	*			trans	-68.9	91.9	167.6	-80.2	161.2	0	0	0	109.9	P3 H7	P3-L5 PolarHBondContact O-N 3.29Å; L5-H7 PolarHBondContact O-N 3.36Å; L5-H7 VanDerWaalsContact O-N 3.13Å
6	F	26.7	Very low	34.3	Very low	186 Å²	186	141.3 Å²	141.3	82%	0.816	74%	0.742	S	S	*	*			trans	-69.2	106	162	-82.8	-82.1	0	0	0	108.9	P4 T8	P4-F6 HydrophobicContact CB-CD2 4.5Å; P4-F6 HydrophobicContact CB-CE2 4.33Å; P4-F6 HydrophobicContact CG-CE2 4.2Å; P4-F6 PolarHBondContact O-N 3Å; F6-T8 PolarHBondContact O-N 3.05Å
7	H	28.4	Very low	35.4	Very low	162 Å²	162	141.3 Å²	141.3	75%	0.75	73%	0.729	S	S	*	*			trans	-63.4	120.2	-174.3	-73.4	-44	0	0	0	112.5	L5 R9	L5-H7 PolarHBondContact O-N 3.36Å; L5-H7 VanDerWaalsContact O-N 3.13Å; H7-R9 PolarHBondContact O-N 3.26Å
8	T	32.4	Very low	36.8	Very low	138 Å²	138	134.6 Å²	134.6	85%	0.847	70%	0.696	S	S	*	*			trans	-71.6	70	172	40.1	0	0	0	0	111.6	F6	F6-T8 PolarHBondContact O-N 3.05Å
9	R	30.3	Very low	38.5	Very low	219 Å²	219	130.8 Å²	130.8	83%	0.826	68%	0.675	S	S	*	*			trans	-134.7	12.3	-177.2	-110	-176.2	-177.5	-170.9	0	118	H7	H7-R9 PolarHBondContact O-N 3.26Å
10	H	33.2	Very low	40.4	Very low	165 Å²	165	128.8 Å²	128.8	76%	0.764	67%	0.665	S	S	*	*			trans	-127.8	25	168.5	-73.7	-76.4	0	0	0	113.3	E12	H10-E12 PolarHBondContact O-N 2.82Å
11	A	34.8	Very low	42.5	Very low	82 Å²	82	122.7 Å²	122.7	68%	0.678	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-4.3	179.1	0	0	0	0	0	114.3
12	E	34.2	Very low	44.9	Very low	193 Å²	193	115.8 Å²	115.8	90%	0.902	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-3.1	-173.1	-62	-174.4	133.4	0	0	114.2	H10	H10-E12 PolarHBondContact O-N 2.82Å
13	E	37.7	Very low	48.1	Very low	161 Å²	161	106.7 Å²	106.7	75%	0.752	55%	0.546	S	S	*	.			trans	-109.7	22.7	-179.1	-67.2	-161.1	118.6	0	0	114.9	A15	E13-A15 PolarHBondContact O-N 2.74Å
14	S	40.8	Very low	51	Low	76 Å²	76	101.6 Å²	101.6	53%	0.531	51%	0.513	S	S	.	.			trans	-72.8	60.9	175.2	-72.4	0	0	0	0	113.5	E16	S14-E16 PolarHBondContact O-N 2.69Å; S14-E16 VanDerWaalsContact O-N 3.07Å
15	A	43.2	Very low	53.7	Low	31 Å²	31	97.1 Å²	97.1	26%	0.256	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	7.6	176.5	0	0	0	0	0	114.4	E13	E13-A15 PolarHBondContact O-N 2.74Å
16	E	50.5	Low	56.2	Low	118 Å²	118	91 Å²	91	55%	0.551	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-17.6	-167.1	-52.9	-159.5	103.6	0	0	114.1	S14 R42	S14-E16 PolarHBondContact O-N 2.69Å; S14-E16 VanDerWaalsContact O-N 3.07Å; E16-R42 IonicContact OE1-CZ 3.68Å; E16-R42 IonicContact OE1-NH1 2.68Å; E16-R42 PolarHBondContact OE1-NH1 2.82Å; E16-R42 IonicContact OE1-NH2 3.59Å; E16-R42 PolarHBondContact OE1-NH2 3.05Å
17	R	53.9	Low	58.6	Low	142 Å²	142	83.6 Å²	83.6	54%	0.536	42%	0.422	S	S	.	.	S	Bend	trans	-91.3	131.7	-175	-55.3	-165	74	165.9	5.7	112.5	H19 E524	R17-H19 PolarHBondContact O-CE1 2.69Å; R17-H19 PolarHBondContact O-ND1 2.79Å; R17-E524 IonicContact CZ-OE2 3.84Å; R17-E524 VanDerWaalsContact CZ-OE2 3.25Å; R17-E524 IonicContact NE-OE2 3.05Å; R17-E524 PolarHBondContact NE-OE2 3.22Å; R17-E524 IonicContact NH2-OE2 3.84Å; R17-E524 PolarHBondContact NH2-OE2 2.9Å
18	P	60.6	Low	60.2	Low	21 Å²	21	82.2 Å²	82.2	14%	0.136	43%	0.431	C	S	.	.			trans	-52.4	135.7	159.9	-25.3	34	0	0	0	112.2	L38 L39 N40 I510 E524	P18-L38 HydrophobicContact CB-CD1 3.77Å; P18-L38 HydrophobicContact CB-CG 4.1Å; P18-L39 WeakPolarHBondContact CA-O 3.47Å; P18-N40 HydrophobicContact CG-CB 4.27Å; P18-I510 HydrophobicContact CB-CD1 4.34Å; P18-I510 HydrophobicContact CG-CD1 3.92Å; P18-I510 HydrophobicContact CG-CG1 4.5Å; P18-E524 WeakPolarHBondContact CD-OE1 3.46Å
19	H	68.6	Low	61.2	Low	63 Å²	63	84.9 Å²	84.9	29%	0.292	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.8	176.2	-74	61.9	0	0	0	109.7	R17 V21 L39 F86	R17-H19 PolarHBondContact O-CE1 2.69Å; R17-H19 PolarHBondContact O-ND1 2.79Å; H19-V21 HydrophobicContact CB-CG2 4.15Å; H19-L39 PolarHBondContact N-O 2.9Å; H19-L39 PolarHBondContact O-N 2.73Å; H19-F86 HydrophobicContact CB-CD1 4.29Å; H19-F86 HydrophobicContact CB-CE1 4.33Å
20	L	76.4	Confident	62.3	Low	89 Å²	89	79.7 Å²	79.7	47%	0.466	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120	171.3	-168.4	72.1	0	0	0	108.8	T36 L38	L20-T36 HydrophobicContact CD1-CG2 3.81Å; L20-T36 HydrophobicContact CD2-CG2 4.08Å; L20-T36 HydrophobicContact CG-CG2 3.71Å; L20-L38 HydrophobicContact CB-CD1 4.38Å; L20-L38 HydrophobicContact CD1-CB 4.18Å; L20-L38 HydrophobicContact CD1-CD1 4.38Å
21	V	84.3	Confident	64.1	Low	2 Å²	2	74.2 Å²	74.2	1%	0.012	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.3	-171.2	-175.3	0	0	0	0	110.6	H19 I23 T36 V37 F85 F92	H19-V21 HydrophobicContact CB-CG2 4.15Å; V21-I23 HydrophobicContact CG1-CD1 4.01Å; V21-I23 HydrophobicContact CG1-CG1 3.89Å; V21-T36 WeakPolarHBondContact O-CA 3.46Å; V21-V37 PolarHBondContact N-O 3.35Å; V21-V37 PolarHBondContact O-N 3.06Å; V21-F85 HydrophobicContact CB-CZ 4.33Å; V21-F85 HydrophobicContact CG1-CE2 4.39Å; V21-F85 HydrophobicContact CG1-CZ 3.87Å; V21-F85 HydrophobicContact CG2-CE1 4.28Å; V21-F85 HydrophobicContact CG2-CZ 4.27Å; V21-F92 HydrophobicContact CG1-CD2 3.35Å; V21-F92 HydrophobicContact CG1-CE2 3.46Å; V21-F92 VanDerWaalsContact CG1-CE2 3.46Å
22	T	87.7	Confident	66.3	Low	30 Å²	30	72.8 Å²	72.8	18%	0.184	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.4	177.2	-61.5	0	0	0	0	111.3	K34 T36 V90 A91 F92 L112	T22-K34 HydrophobicContact CG2-CD 4.36Å; T22-K34 HydrophobicContact CG2-CG 4.06Å; T22-T36 WeakPolarHBondContact CG2-OG1 3.43Å; T22-T36 WeakPolarHBondContact OG1-CG2 3.4Å; T22-T36 PolarHBondContact OG1-OG1 2.81Å; T22-V90 PolarHBondContact N-O 3.31Å; T22-A91 CarbonylContact O-C 3.59Å; T22-A91 WeakPolarHBondContact O-CA 3.33Å; T22-F92 PolarHBondContact O-N 2.87Å; T22-L112 HydrophobicContact CG2-CD2 3.58Å
23	I	92.1	Very high	68.8	Low	0 Å²	0	67.3 Å²	67.3	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.5	-170.4	-59.3	176.2	0	0	0	109	V21 K34 V35 L54 L58 L71 F85 F92 A94	V21-I23 HydrophobicContact CG1-CD1 4.01Å; V21-I23 HydrophobicContact CG1-CG1 3.89Å; I23-K34 CarbonylContact O-C 3.59Å; I23-K34 WeakPolarHBondContact O-CA 3.27Å; I23-V35 HydrophobicContact CB-CG1 4.2Å; I23-V35 PolarHBondContact N-O 3.15Å; I23-V35 PolarHBondContact O-N 3.39Å; I23-L54 HydrophobicContact CD1-CD1 3.74Å; I23-L54 HydrophobicContact CD1-CD2 3.35Å; I23-L54 HydrophobicContact CD1-CG 4.18Å; I23-L58 HydrophobicContact CG2-CD1 4.13Å; I23-L71 HydrophobicContact CG2-CD2 4.26Å; I23-F85 HydrophobicContact CD1-CE2 4.23Å; I23-F85 HydrophobicContact CD1-CZ 4.18Å; I23-F92 WeakPolarHBondContact CA-O 3.49Å; I23-F92 HydrophobicContact CG1-CB 4.38Å; I23-A94 HydrophobicContact CG2-CB 3.58Å
24	V	91.5	Very high	71.2	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.5	-178.6	174.9	0	0	0	0	110.5	L32 R33 K34 F92 L93 A94 A108 E111 L112	V24-L32 HydrophobicContact CG1-CB 4.47Å; V24-L32 HydrophobicContact CG1-CD2 4.17Å; V24-R33 CarbonylContact C-O 3.59Å; V24-R33 WeakPolarHBondContact CA-O 3.27Å; V24-K34 HydrophobicContact CG2-CB 4Å; V24-K34 HydrophobicContact CG2-CD 4.02Å; V24-K34 HydrophobicContact CG2-CG 3.76Å; V24-F92 PolarHBondContact N-O 3.01Å; V24-L93 WeakPolarHBondContact O-CA 3.22Å; V24-A94 PolarHBondContact O-N 3.36Å; V24-A108 HydrophobicContact CB-CB 4.5Å; V24-A108 HydrophobicContact CG1-CB 3.62Å; V24-E111 HydrophobicContact CG2-CG 4.32Å; V24-L112 HydrophobicContact CB-CD1 4.4Å; V24-L112 HydrophobicContact CB-CD2 4.35Å; V24-L112 HydrophobicContact CB-CG 4.22Å; V24-L112 HydrophobicContact CG2-CD1 4.43Å; V24-L112 HydrophobicContact CG2-CD2 3.57Å; V24-L112 HydrophobicContact CG2-CG 3.76Å
25	R	89.6	Confident	73.3	Confident	13 Å²	13	59.8 Å²	59.8	5%	0.049	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.5	-179.8	178.7	160.8	-177.7	100.5	-7.3	111.2	C27 R33 L58 F60 G66 R67 A94 L95	R25-C27 PolarHBondContact O-SG 3.2Å; R25-C27 VanDerWaalsContact O-SG 3.36Å; R25-R33 PolarHBondContact N-O 3.11Å; R25-R33 PolarHBondContact O-N 3.48Å; R25-L58 HydrophobicContact CB-CD1 3.95Å; R25-L58 HydrophobicContact CB-CD2 4.14Å; R25-F60 HydrophobicContact CG-CE2 4.41Å; R25-G66 VanDerWaalsContact NH2-C 3.33Å; R25-G66 PolarHBondContact NH2-O 3.38Å; R25-R67 PolarHBondContact NH2-O 3.27Å; R25-A94 HydrophobicContact CB-CB 4.41Å; R25-A94 WeakPolarHBondContact CD-O 3.15Å; R25-A94 WeakPolarHBondContact CG-O 3.38Å; R25-A94 VanDerWaalsContact NH1-C 3.3Å; R25-A94 PolarHBondContact NH1-O 3Å; R25-L95 VanDerWaalsContact NH1-CA 3.29Å; R25-L95 PolarHBondContact NH1-O 2.71Å
26	P	84.3	Confident	75.2	Confident	21 Å²	21	60.7 Å²	60.7	14%	0.136	32%	0.32	C	S	.	.			trans	-67	134.6	169.8	-11.6	25.8	0	0	0	111	L32 L95 S104 A108	P26-L32 HydrophobicContact CB-CD2 4.34Å; P26-L95 HydrophobicContact CG-CD2 4.26Å; P26-S104 VanDerWaalsContact CB-O 3.29Å; P26-S104 WeakPolarHBondContact CB-O 3.47Å; P26-S104 WeakPolarHBondContact CG-O 3.46Å; P26-A108 HydrophobicContact CG-CB 4.14Å
27	C	76.8	Confident	76.6	Confident	29 Å²	29	55.1 Å²	55.1	20%	0.196	29%	0.294	C	S	.	.			trans	-133.5	115.1	-177.9	-54.5	0	0	0	0	111.7	R25 Q29 N30 G31	R25-C27 PolarHBondContact O-SG 3.2Å; R25-C27 VanDerWaalsContact O-SG 3.36Å; C27-Q29 PolarHBondContact O-N 3.42Å; C27-N30 PolarHBondContact O-N 2.96Å; C27-G31 VanDerWaalsContact CB-O 3.31Å; C27-G31 WeakPolarHBondContact CB-O 3.28Å
28	S	60.8	Low	77.4	Confident	134 Å²	134	51.9 Å²	51.9	94%	0.937	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	6.8	-170.5	-40.6	0	0	0	0	117.8
29	Q	54.1	Low	78	Confident	194 Å²	194	51.4 Å²	51.4	91%	0.907	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.7	-10.5	-175.9	-73.1	-174.5	-32.1	0	0	114.5	C27	C27-Q29 PolarHBondContact O-N 3.42Å
30	N	52.5	Low	78.2	Confident	109 Å²	109	50.3 Å²	50.3	58%	0.583	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-156.5	32	-165.1	-144.7	127.5	0	0	0	114.1	C27	C27-N30 PolarHBondContact O-N 2.96Å
31	G	72.2	Confident	78	Confident	50 Å²	50	50.5 Å²	50.5	52%	0.515	27%	0.274	S	S	.	.			trans	70.3	-171.3	-178.1	0	0	0	0	0	114.2	C27	C27-G31 VanDerWaalsContact CB-O 3.31Å; C27-G31 WeakPolarHBondContact CB-O 3.28Å
32	L	80.8	Confident	77	Confident	52 Å²	52	58.9 Å²	58.9	27%	0.272	31%	0.306	S	S	.	.			trans	-69	152.3	175	-62.9	171.9	0	0	0	111.3	V24 P26 D107 A108 E111	V24-L32 HydrophobicContact CG1-CB 4.47Å; V24-L32 HydrophobicContact CG1-CD2 4.17Å; P26-L32 HydrophobicContact CB-CD2 4.34Å; L32-D107 HydrophobicContact CD1-CB 4.07Å; L32-D107 VanDerWaalsContact CD1-O 3.29Å; L32-D107 WeakPolarHBondContact CD1-O 3.21Å; L32-D107 HydrophobicContact CD2-CB 3.93Å; L32-D107 HydrophobicContact CG-CB 4.24Å; L32-A108 HydrophobicContact CD2-CB 3.95Å; L32-E111 HydrophobicContact CD1-CB 3.38Å; L32-E111 HydrophobicContact CD1-CG 3.8Å
33	R	87.2	Confident	75.9	Confident	79 Å²	79	61.2 Å²	61.2	30%	0.298	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	118.5	165.3	-66.5	-169.1	-173.3	-174.4	4	110.2	V24 R25 L58 G59 F60	V24-R33 CarbonylContact C-O 3.59Å; V24-R33 WeakPolarHBondContact CA-O 3.27Å; R25-R33 PolarHBondContact N-O 3.11Å; R25-R33 PolarHBondContact O-N 3.48Å; R33-L58 HydrophobicContact CB-CD2 4.11Å; R33-L58 WeakPolarHBondContact CD-O 3.37Å; R33-L58 PolarHBondContact NH1-O 2.83Å; R33-L58 WeakPolarHBondContact O-CD2 3.43Å; R33-G59 PolarHBondContact NH1-O 3.42Å; R33-F60 VanDerWaalsContact CZ-CZ 3.41Å; R33-F60 VanDerWaalsContact NH1-CZ 3.26Å
34	K	86.6	Confident	75.1	Confident	76 Å²	76	62.2 Å²	62.2	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150.2	175	-170.3	161.3	174.3	175.1	0	110.6	T22 I23 V24 E111 K211	T22-K34 HydrophobicContact CG2-CD 4.36Å; T22-K34 HydrophobicContact CG2-CG 4.06Å; I23-K34 CarbonylContact O-C 3.59Å; I23-K34 WeakPolarHBondContact O-CA 3.27Å; V24-K34 HydrophobicContact CG2-CB 4Å; V24-K34 HydrophobicContact CG2-CD 4.02Å; V24-K34 HydrophobicContact CG2-CG 3.76Å; K34-E111 HydrophobicContact CD-CG 3.91Å; K34-E111 WeakPolarHBondContact CD-OE1 3.14Å; K34-E111 WeakPolarHBondContact CE-OE1 3.24Å; K34-E111 PolarHBondContact NZ-O 3.36Å; K34-E111 IonicContact NZ-OE1 3.22Å; K34-E111 PolarHBondContact NZ-OE1 2.78Å; K34-K211 PolarHBondContact O-NZ 2.81Å
35	V	85.4	Confident	74.2	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.018	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	134.7	159.8	63.4	0	0	0	0	108.4	I23 V37 L58 K211	I23-V35 HydrophobicContact CB-CG1 4.2Å; I23-V35 PolarHBondContact N-O 3.15Å; I23-V35 PolarHBondContact O-N 3.39Å; V35-V37 HydrophobicContact CB-CG2 4.35Å; V35-V37 HydrophobicContact CG1-CG2 3.96Å; V35-V37 HydrophobicContact CG2-CG2 3.59Å; V35-L58 HydrophobicContact CB-CD2 4.38Å; V35-L58 HydrophobicContact CG1-CD2 3.79Å; V35-L58 HydrophobicContact CG1-CG 3.95Å; V35-K211 HydrophobicContact CB-CG 4.43Å; V35-K211 HydrophobicContact CG2-CB 4.15Å; V35-K211 HydrophobicContact CG2-CG 3.64Å
36	T	83.5	Confident	73.9	Confident	50 Å²	50	70.1 Å²	70.1	31%	0.307	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.7	167.1	-57.3	0	0	0	0	107.7	L20 V21 T22	L20-T36 HydrophobicContact CD1-CG2 3.81Å; L20-T36 HydrophobicContact CD2-CG2 4.08Å; L20-T36 HydrophobicContact CG-CG2 3.71Å; V21-T36 WeakPolarHBondContact O-CA 3.46Å; T22-T36 WeakPolarHBondContact CG2-OG1 3.43Å; T22-T36 WeakPolarHBondContact OG1-CG2 3.4Å; T22-T36 PolarHBondContact OG1-OG1 2.81Å
37	V	79.4	Confident	74	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	132.5	-168.5	-168.6	0	0	0	0	110.4	V21 V35 L39 L54 L209	V21-V37 PolarHBondContact N-O 3.35Å; V21-V37 PolarHBondContact O-N 3.06Å; V35-V37 HydrophobicContact CB-CG2 4.35Å; V35-V37 HydrophobicContact CG1-CG2 3.96Å; V35-V37 HydrophobicContact CG2-CG2 3.59Å; V37-L39 HydrophobicContact CB-CD1 4.46Å; V37-L39 HydrophobicContact CG1-CD1 4.35Å; V37-L39 HydrophobicContact CG1-CG 4Å; V37-L54 HydrophobicContact CG2-CD2 4.43Å; V37-L209 HydrophobicContact CG1-CB 3.61Å; V37-L209 HydrophobicContact CG1-CD1 4.22Å; V37-L209 HydrophobicContact CG1-CD2 3.6Å; V37-L209 HydrophobicContact CG1-CG 3.98Å
38	L	71.3	Confident	74.5	Confident	74 Å²	74	76.6 Å²	76.6	39%	0.387	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121	168.1	-171.6	64	0	0	0	109.5	P18 L20 I510	P18-L38 HydrophobicContact CB-CD1 3.77Å; P18-L38 HydrophobicContact CB-CG 4.1Å; L20-L38 HydrophobicContact CB-CD1 4.38Å; L20-L38 HydrophobicContact CD1-CB 4.18Å; L20-L38 HydrophobicContact CD1-CD1 4.38Å; L38-I510 HydrophobicContact CD2-CD1 4.11Å; L38-I510 HydrophobicContact CD2-CG2 4.22Å
39	L	73.3	Confident	75.5	Confident	10 Å²	10	73 Å²	73	5%	0.052	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.5	-173.1	-87.4	165	0	0	0	110.9	P18 H19 V37 V44 L50 F85 F86 L209	P18-L39 WeakPolarHBondContact CA-O 3.47Å; H19-L39 PolarHBondContact N-O 2.9Å; H19-L39 PolarHBondContact O-N 2.73Å; V37-L39 HydrophobicContact CB-CD1 4.46Å; V37-L39 HydrophobicContact CG1-CD1 4.35Å; V37-L39 HydrophobicContact CG1-CG 4Å; L39-V44 HydrophobicContact CD2-CG2 4.08Å; L39-L50 HydrophobicContact CD1-CD1 3.95Å; L39-L50 HydrophobicContact CD2-CD1 3.84Å; L39-F85 HydrophobicContact CD1-CE1 3.57Å; L39-F85 HydrophobicContact CD1-CZ 3.56Å; L39-F86 HydrophobicContact CB-CE1 4.01Å; L39-F86 HydrophobicContact CB-CZ 4.02Å; L39-F86 WeakPolarHBondContact O-CE1 3.33Å; L39-L209 HydrophobicContact CD2-CD2 3.54Å; L39-L209 HydrophobicContact CG-CD2 4.21Å
40	N	72.2	Confident	77.1	Confident	41 Å²	41	64 Å²	64	22%	0.219	34%	0.337	C	S	.	.			trans	-98.2	129.8	170.9	-173	-37.9	0	0	0	109.7	P18 R42 A43	P18-N40 HydrophobicContact CG-CB 4.27Å; N40-R42 PolarHBondContact O-N 2.68Å; N40-R42 WeakPolarHBondContact OD1-CB 3.29Å; N40-R42 PolarHBondContact OD1-N 3.22Å; N40-A43 HydrophobicContact CB-CB 4.29Å; N40-A43 WeakPolarHBondContact O-CB 3.46Å; N40-A43 PolarHBondContact O-N 3.09Å
41	R	71.7	Confident	78.9	Confident	93 Å²	93	59.8 Å²	59.8	35%	0.351	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-55.9	-34.5	177.8	-177.2	172.5	169.8	-173.2	-5.5	113.2	A43 V44 V82 F86	R41-A43 VanDerWaalsContact C-N 3.28Å; R41-A43 PolarHBondContact O-N 3.44Å; R41-V44 PolarHBondContact O-N 2.88Å; R41-V82 HydrophobicContact CG-CG1 4.44Å; R41-F86 VanDerWaalsContact CA-CE2 3.49Å; R41-F86 HydrophobicContact CB-CD1 4.37Å; R41-F86 HydrophobicContact CB-CD2 3.72Å; R41-F86 HydrophobicContact CB-CE1 4.37Å; R41-F86 HydrophobicContact CB-CE2 3.74Å; R41-F86 HydrophobicContact CB-CG 4.07Å; R41-F86 HydrophobicContact CB-CZ 4.06Å; R41-F86 HydrophobicContact CG-CD2 3.73Å; R41-F86 HydrophobicContact CG-CE2 4.01Å; R41-F86 HydrophobicContact CG-CG 4.33Å
42	R	64.8	Low	79.5	Confident	178 Å²	178	59.5 Å²	59.5	67%	0.672	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-71.1	-17.3	175.4	-68.8	-175.5	167.7	151.8	3.6	114	E16 N40	E16-R42 IonicContact OE1-CZ 3.68Å; E16-R42 IonicContact OE1-NH1 2.68Å; E16-R42 PolarHBondContact OE1-NH1 2.82Å; E16-R42 IonicContact OE1-NH2 3.59Å; E16-R42 PolarHBondContact OE1-NH2 3.05Å; N40-R42 PolarHBondContact O-N 2.68Å; N40-R42 WeakPolarHBondContact OD1-CB 3.29Å; N40-R42 PolarHBondContact OD1-N 3.22Å
43	A	64.4	Low	79.6	Confident	78 Å²	78	58 Å²	58	65%	0.645	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-91	-10.9	176.4	0	0	0	0	0	113.4	N40 R41 V45	N40-A43 HydrophobicContact CB-CB 4.29Å; N40-A43 WeakPolarHBondContact O-CB 3.46Å; N40-A43 PolarHBondContact O-N 3.09Å; R41-A43 VanDerWaalsContact C-N 3.28Å; R41-A43 PolarHBondContact O-N 3.44Å; A43-V45 PolarHBondContact O-N 3.18Å
44	V	74.9	Confident	79.6	Confident	21 Å²	21	54.2 Å²	54.2	13%	0.127	28%	0.278	C	S	.	.			trans	-92.3	96.7	-178.8	179.2	0	0	0	0	110.3	L39 R41 S46 L50 V82 F86	L39-V44 HydrophobicContact CD2-CG2 4.08Å; R41-V44 PolarHBondContact O-N 2.88Å; V44-S46 WeakPolarHBondContact CG1-O 3.49Å; V44-S46 PolarHBondContact O-N 3.24Å; V44-L50 HydrophobicContact CG1-CB 3.87Å; V44-L50 HydrophobicContact CG1-CD2 4.3Å; V44-L50 HydrophobicContact CG1-CG 4.48Å; V44-L50 HydrophobicContact CG2-CD1 4.28Å; V44-V82 HydrophobicContact CB-CG1 4.06Å; V44-V82 HydrophobicContact CG1-CB 4.48Å; V44-V82 HydrophobicContact CG1-CG1 3.8Å; V44-V82 HydrophobicContact CG1-CG2 3.8Å; V44-F86 HydrophobicContact CB-CE2 4.46Å; V44-F86 HydrophobicContact CG2-CE2 4.04Å; V44-F86 HydrophobicContact CG2-CZ 4.06Å
45	V	72	Confident	79.5	Confident	131 Å²	131	50.6 Å²	50.6	79%	0.794	26%	0.263	S	S	*	.			trans	-63.5	-38.1	-178.9	-176.8	0	0	0	0	112.6	A43	A43-V45 PolarHBondContact O-N 3.18Å
46	S	84.6	Confident	79.4	Confident	48 Å²	48	51.7 Å²	51.7	34%	0.336	27%	0.268	S	S	.	.			trans	-155.3	161.4	174.9	80.1	0	0	0	0	112	V44 E48 Q49 L50	V44-S46 WeakPolarHBondContact CG1-O 3.49Å; V44-S46 PolarHBondContact O-N 3.24Å; S46-E48 VanDerWaalsContact C-N 3.29Å; S46-E48 PolarHBondContact O-N 3.33Å; S46-E48 PolarHBondContact OG-N 2.97Å; S46-Q49 PolarHBondContact O-N 3.06Å; S46-Q49 PolarHBondContact OG-N 3.23Å; S46-L50 PolarHBondContact O-N 2.98Å
47	F	86.7	Confident	79.2	Confident	34 Å²	34	49.6 Å²	49.6	15%	0.149	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-32.7	175.9	-170.8	-120.8	0	0	0	112	L50 L51 L71 V79 G81 V82 F85	F47-L50 HydrophobicContact CD2-CD2 4.15Å; F47-L50 HydrophobicContact CE2-CD2 4.38Å; F47-L50 WeakPolarHBondContact O-CB 3.49Å; F47-L50 PolarHBondContact O-N 3.06Å; F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CE1-CD1 3.8Å; F47-L51 HydrophobicContact CE1-CG 4.33Å; F47-L51 HydrophobicContact CZ-CD1 4.34Å; F47-L51 HydrophobicContact CZ-CD2 4.36Å; F47-L51 HydrophobicContact CZ-CG 4.42Å; F47-L51 VanDerWaalsContact O-CG 3.32Å; F47-L51 WeakPolarHBondContact O-CG 3.29Å; F47-L51 PolarHBondContact O-N 2.86Å; F47-L71 HydrophobicContact CE2-CD1 4.13Å; F47-L71 HydrophobicContact CZ-CD1 4.27Å; F47-V79 WeakPolarHBondContact CE1-O 3.14Å; F47-V79 HydrophobicContact CE2-CB 4.46Å; F47-V79 HydrophobicContact CE2-CG1 3.73Å; F47-V79 HydrophobicContact CZ-CB 4.07Å; F47-V79 HydrophobicContact CZ-CG1 3.78Å; F47-V79 VanDerWaalsContact CZ-O 3.24Å; F47-V79 WeakPolarHBondContact CZ-O 3.45Å; F47-G81 VanDerWaalsContact CD2-C 3.45Å; F47-V82 HydrophobicContact CB-CG2 3.91Å; F47-F85 HydrophobicContact CE2-CB 4.41Å
48	E	86.8	Confident	79.3	Confident	153 Å²	153	49.6 Å²	49.6	72%	0.715	26%	0.256	S	S	*	.	H	α-helix	trans	-67.2	-40.8	174.5	-59.3	-165.5	149.7	0	0	111.9	S46 L50 L51 L52	S46-E48 VanDerWaalsContact C-N 3.29Å; S46-E48 PolarHBondContact O-N 3.33Å; S46-E48 PolarHBondContact OG-N 2.97Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L51 PolarHBondContact O-N 3.28Å; E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.11Å
49	Q	82.1	Confident	79.6	Confident	57 Å²	57	47.1 Å²	47.1	27%	0.266	25%	0.248	S	C	.	.	H	α-helix	trans	-65.7	-39	175.1	-170.3	57.5	48.4	0	0	111.2	S46 L51 L52 D53	S46-Q49 PolarHBondContact O-N 3.06Å; S46-Q49 PolarHBondContact OG-N 3.23Å; Q49-L51 PolarHBondContact O-N 3.36Å; Q49-L52 PolarHBondContact O-N 3.26Å; Q49-D53 PolarHBondContact NE2-OD1 3.2Å; Q49-D53 WeakPolarHBondContact O-CB 3.48Å; Q49-D53 PolarHBondContact O-N 2.96Å
50	L	87.7	Confident	80	Confident	5 Å²	5	47.3 Å²	47.3	3%	0.026	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-45.7	171.9	-178.5	61.6	0	0	0	111.6	L39 V44 S46 F47 E48 L52 D53 L54 F85	L39-L50 HydrophobicContact CD1-CD1 3.95Å; L39-L50 HydrophobicContact CD2-CD1 3.84Å; V44-L50 HydrophobicContact CG1-CB 3.87Å; V44-L50 HydrophobicContact CG1-CD2 4.3Å; V44-L50 HydrophobicContact CG1-CG 4.48Å; V44-L50 HydrophobicContact CG2-CD1 4.28Å; S46-L50 PolarHBondContact O-N 2.98Å; F47-L50 HydrophobicContact CD2-CD2 4.15Å; F47-L50 HydrophobicContact CE2-CD2 4.38Å; F47-L50 WeakPolarHBondContact O-CB 3.49Å; F47-L50 PolarHBondContact O-N 3.06Å; E48-L50 VanDerWaalsContact C-N 3.34Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.83Å; L50-D53 PolarHBondContact O-N 2.96Å; L50-L54 HydrophobicContact CD1-CD1 3.84Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.8Å; L50-L54 HydrophobicContact CG-CG 4.39Å; L50-L54 VanDerWaalsContact O-CB 3.23Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 3.34Å; L50-F85 HydrophobicContact CD2-CB 4.29Å; L50-F85 HydrophobicContact CD2-CD1 3.74Å; L50-F85 HydrophobicContact CD2-CD2 3.93Å; L50-F85 HydrophobicContact CD2-CE1 4.03Å; L50-F85 HydrophobicContact CD2-CE2 4.18Å; L50-F85 HydrophobicContact CD2-CG 3.69Å; L50-F85 HydrophobicContact CD2-CZ 4.22Å
51	L	89.5	Confident	80.1	Confident	21 Å²	21	48.1 Å²	48.1	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-64.6	-33.1	176.9	-69.2	169.6	0	0	0	112.9	F47 E48 Q49 S55 V68 L71	F47-L51 HydrophobicContact CD1-CD1 3.97Å; F47-L51 HydrophobicContact CE1-CD1 3.8Å; F47-L51 HydrophobicContact CE1-CG 4.33Å; F47-L51 HydrophobicContact CZ-CD1 4.34Å; F47-L51 HydrophobicContact CZ-CD2 4.36Å; F47-L51 HydrophobicContact CZ-CG 4.42Å; F47-L51 VanDerWaalsContact O-CG 3.32Å; F47-L51 WeakPolarHBondContact O-CG 3.29Å; F47-L51 PolarHBondContact O-N 2.86Å; E48-L51 PolarHBondContact O-N 3.28Å; Q49-L51 PolarHBondContact O-N 3.36Å; L51-S55 WeakPolarHBondContact O-CB 3.35Å; L51-S55 PolarHBondContact O-N 3.29Å; L51-S55 PolarHBondContact O-OG 2.76Å; L51-V68 HydrophobicContact CD2-CG1 3.85Å; L51-L71 HydrophobicContact CD2-CB 4.46Å; L51-L71 HydrophobicContact CD2-CD1 3.59Å; L51-L71 HydrophobicContact CD2-CG 3.69Å
52	L	83.9	Confident	80	Confident	44 Å²	44	48.1 Å²	48.1	23%	0.23	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-51	173.7	-71.8	174.9	0	0	0	111.7	E48 Q49 L50 L54 S55 E56 R62	E48-L52 WeakPolarHBondContact O-CG 3.46Å; E48-L52 PolarHBondContact O-N 3.11Å; Q49-L52 PolarHBondContact O-N 3.26Å; L50-L52 VanDerWaalsContact C-N 3.32Å; L50-L52 PolarHBondContact O-N 2.83Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 2.75Å; L52-S55 VanDerWaalsContact O-CB 3.29Å; L52-S55 WeakPolarHBondContact O-CB 3.35Å; L52-S55 PolarHBondContact O-N 2.91Å; L52-E56 WeakPolarHBondContact O-CB 3.42Å; L52-E56 PolarHBondContact O-N 2.95Å; L52-R62 HydrophobicContact CD2-CG 4.4Å
53	D	83.3	Confident	80	Confident	20 Å²	20	50.6 Å²	50.6	11%	0.107	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-38.8	179.4	-72.5	-0.1	0	0	0	110.7	Q49 L50 E56 A57 R62 N208 L209	Q49-D53 PolarHBondContact NE2-OD1 3.2Å; Q49-D53 WeakPolarHBondContact O-CB 3.48Å; Q49-D53 PolarHBondContact O-N 2.96Å; L50-D53 PolarHBondContact O-N 2.96Å; D53-E56 WeakPolarHBondContact O-CB 3.49Å; D53-E56 PolarHBondContact O-N 3.28Å; D53-A57 VanDerWaalsContact O-CB 3.26Å; D53-A57 WeakPolarHBondContact O-CB 3.26Å; D53-A57 PolarHBondContact O-N 3.27Å; D53-R62 IonicContact OD1-NH2 3.29Å; D53-N208 WeakPolarHBondContact OD2-CB 3.49Å; D53-N208 PolarHBondContact OD2-ND2 3.11Å; D53-L209 HydrophobicContact CB-CD1 3.71Å; D53-L209 HydrophobicContact CB-CG 4.14Å; D53-L209 WeakPolarHBondContact O-CD1 3.45Å
54	L	87.3	Confident	80.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-32	173.4	-70.6	174.2	0	0	0	113.7	I23 V37 L50 L52 E56 A57 L58 L71 F85 L209	I23-L54 HydrophobicContact CD1-CD1 3.74Å; I23-L54 HydrophobicContact CD1-CD2 3.35Å; I23-L54 HydrophobicContact CD1-CG 4.18Å; V37-L54 HydrophobicContact CG2-CD2 4.43Å; L50-L54 HydrophobicContact CD1-CD1 3.84Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.8Å; L50-L54 HydrophobicContact CG-CG 4.39Å; L50-L54 VanDerWaalsContact O-CB 3.23Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.43Å; L50-L54 PolarHBondContact O-N 3.34Å; L52-L54 VanDerWaalsContact C-N 3.28Å; L52-L54 PolarHBondContact O-N 2.75Å; L54-E56 VanDerWaalsContact C-N 3.34Å; L54-A57 CarbonylContact O-C 3.5Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 WeakPolarHBondContact O-CD1 3.37Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 3.11Å; L54-L71 HydrophobicContact CD1-CD1 3.79Å; L54-L71 HydrophobicContact CD1-CD2 4.4Å; L54-F85 HydrophobicContact CD1-CE2 4.42Å; L54-L209 HydrophobicContact CD2-CD1 3.82Å; L54-L209 HydrophobicContact CG-CD1 4.28Å
55	S	85	Confident	80.1	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.007	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-47.7	170.7	-62.5	0	0	0	0	110.9	L51 L52 L58 G59 F60 V68	L51-S55 WeakPolarHBondContact O-CB 3.35Å; L51-S55 PolarHBondContact O-N 3.29Å; L51-S55 PolarHBondContact O-OG 2.76Å; L52-S55 VanDerWaalsContact O-CB 3.29Å; L52-S55 WeakPolarHBondContact O-CB 3.35Å; L52-S55 PolarHBondContact O-N 2.91Å; S55-L58 CarbonylContact O-C 3.55Å; S55-L58 PolarHBondContact O-N 3.23Å; S55-L58 VanDerWaalsContact O-N 3.1Å; S55-G59 PolarHBondContact O-N 3.48Å; S55-F60 CarbonylContact C-O 3.58Å; S55-F60 VanDerWaalsContact C-O 3.29Å; S55-F60 WeakPolarHBondContact CB-O 3.42Å; S55-F60 WeakPolarHBondContact O-CA 3.36Å; S55-F60 WeakPolarHBondContact O-CB 3.25Å; S55-F60 PolarHBondContact O-N 3.48Å; S55-V68 WeakPolarHBondContact OG-CA 3.29Å; S55-V68 VanDerWaalsContact OG-CB 3.3Å; S55-V68 WeakPolarHBondContact OG-CB 3.41Å; S55-V68 PolarHBondContact OG-N 3.49Å; S55-V68 PolarHBondContact OG-O 3.46Å
56	E	82.2	Confident	80.1	Confident	26 Å²	26	56.8 Å²	56.8	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-47.9	179.8	-162	120.9	-116	0	0	110	L52 D53 L54 L58 G59 R62 L205 P206	L52-E56 WeakPolarHBondContact O-CB 3.42Å; L52-E56 PolarHBondContact O-N 2.95Å; D53-E56 WeakPolarHBondContact O-CB 3.49Å; D53-E56 PolarHBondContact O-N 3.28Å; L54-E56 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 3.1Å; E56-G59 WeakPolarHBondContact O-CA 3.43Å; E56-G59 PolarHBondContact O-N 3.08Å; E56-R62 IonicContact OE2-CZ 3.21Å; E56-R62 IonicContact OE2-NE 3.99Å; E56-R62 PolarHBondContact OE2-NE 3.28Å; E56-R62 IonicContact OE2-NH2 3.72Å; E56-L205 HydrophobicContact CG-CD2 4.33Å; E56-L205 HydrophobicContact CG-CG 4.32Å; E56-L205 WeakPolarHBondContact O-CD2 3.23Å; E56-P206 HydrophobicContact CG-CG 3.85Å
57	A	80.4	Confident	80.1	Confident	6 Å²	6	59 Å²	59	5%	0.05	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-5.4	172.4	0	0	0	0	0	114.7	D53 L54 L209 K211	D53-A57 VanDerWaalsContact O-CB 3.26Å; D53-A57 WeakPolarHBondContact O-CB 3.26Å; D53-A57 PolarHBondContact O-N 3.27Å; L54-A57 CarbonylContact O-C 3.5Å; A57-L209 HydrophobicContact CB-CB 4.13Å; A57-L209 HydrophobicContact CB-CD1 3.74Å; A57-K211 HydrophobicContact CB-CB 4.48Å; A57-K211 WeakPolarHBondContact O-CD 3.3Å; A57-K211 VanDerWaalsContact O-CE 3.27Å; A57-K211 WeakPolarHBondContact O-CE 3.49Å; A57-K211 WeakPolarHBondContact O-CG 3.36Å; A57-K211 PolarHBondContact O-NZ 3.44Å
58	L	81.2	Confident	80.2	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	3.3	164.5	-76.1	164.2	0	0	0	112.8	I23 R25 R33 V35 L54 S55 E56 F60 V68 A94	I23-L58 HydrophobicContact CG2-CD1 4.13Å; R25-L58 HydrophobicContact CB-CD1 3.95Å; R25-L58 HydrophobicContact CB-CD2 4.14Å; R33-L58 HydrophobicContact CB-CD2 4.11Å; R33-L58 WeakPolarHBondContact CD-O 3.37Å; R33-L58 PolarHBondContact NH1-O 2.83Å; R33-L58 WeakPolarHBondContact O-CD2 3.43Å; V35-L58 HydrophobicContact CB-CD2 4.38Å; V35-L58 HydrophobicContact CG1-CD2 3.79Å; V35-L58 HydrophobicContact CG1-CG 3.95Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.44Å; L54-L58 WeakPolarHBondContact O-CD1 3.37Å; L54-L58 WeakPolarHBondContact O-CG 3.43Å; L54-L58 PolarHBondContact O-N 3.11Å; S55-L58 CarbonylContact O-C 3.55Å; S55-L58 PolarHBondContact O-N 3.23Å; S55-L58 VanDerWaalsContact O-N 3.1Å; E56-L58 PolarHBondContact O-N 3.1Å; L58-F60 HydrophobicContact CB-CD2 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.98Å; L58-F60 WeakPolarHBondContact O-CD2 3.3Å; L58-F60 WeakPolarHBondContact O-CE2 3.44Å; L58-V68 HydrophobicContact CD1-CG2 3.73Å; L58-A94 HydrophobicContact CD1-CB 3.73Å
59	G	78.4	Confident	80.3	Confident	22 Å²	22	52.4 Å²	52.4	23%	0.227	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	36.5	178.4	0	0	0	0	0	113.6	R33 S55 E56	R33-G59 PolarHBondContact NH1-O 3.42Å; S55-G59 PolarHBondContact O-N 3.48Å; E56-G59 WeakPolarHBondContact O-CA 3.43Å; E56-G59 PolarHBondContact O-N 3.08Å
60	F	81.6	Confident	80.8	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.061	25%	0.248	C	C	.	.			trans	-126.3	99.5	176.3	-59.1	-72.4	0	0	0	109.8	R25 R33 S55 L58 H64 G66 R67	R25-F60 HydrophobicContact CG-CE2 4.41Å; R33-F60 VanDerWaalsContact CZ-CZ 3.41Å; R33-F60 VanDerWaalsContact NH1-CZ 3.26Å; S55-F60 CarbonylContact C-O 3.58Å; S55-F60 VanDerWaalsContact C-O 3.29Å; S55-F60 WeakPolarHBondContact CB-O 3.42Å; S55-F60 WeakPolarHBondContact O-CA 3.36Å; S55-F60 WeakPolarHBondContact O-CB 3.25Å; S55-F60 PolarHBondContact O-N 3.48Å; L58-F60 HydrophobicContact CB-CD2 3.77Å; L58-F60 HydrophobicContact CB-CE2 3.98Å; L58-F60 WeakPolarHBondContact O-CD2 3.3Å; L58-F60 WeakPolarHBondContact O-CE2 3.44Å; F60-H64 AromaticContact CD1-CE1 3.59Å; F60-H64 AromaticContact CD1-ND1 3.39Å; F60-H64 WeakPolarHBondContact CD1-ND1 3.21Å; F60-H64 AromaticContact CE1-CE1 3.97Å; F60-G66 WeakPolarHBondContact CD1-O 3.33Å; F60-G66 WeakPolarHBondContact CG-O 3.2Å; F60-R67 HydrophobicContact CB-CB 4.47Å
61	P	73.6	Confident	81.1	Confident	58 Å²	58	54.7 Å²	54.7	38%	0.377	25%	0.247	S	C	.	.			trans	-56.6	156.4	178.1	-26.4	35.3	0	0	0	112.6	W63 H64	P61-W63 PolarHBondContact O-N 3.48Å; P61-H64 WeakPolarHBondContact O-CB 3.4Å; P61-H64 PolarHBondContact O-N 2.99Å
62	R	69.1	Low	81.3	Confident	92 Å²	92	54.4 Å²	54.4	35%	0.347	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-33.1	-173.7	-57.5	-177.6	-179.9	-154.2	-7.6	114.5	L52 D53 E56 R67	L52-R62 HydrophobicContact CD2-CG 4.4Å; D53-R62 IonicContact OD1-NH2 3.29Å; E56-R62 IonicContact OE2-CZ 3.21Å; E56-R62 IonicContact OE2-NE 3.99Å; E56-R62 PolarHBondContact OE2-NE 3.28Å; E56-R62 IonicContact OE2-NH2 3.72Å; R62-R67 WeakPolarHBondContact O-CD 3.1Å; R62-R67 PolarHBondContact O-NH1 3.04Å
63	W	65.2	Low	81.6	Confident	230 Å²	230	52.3 Å²	52.3	87%	0.871	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.7	179.1	-24.9	103.6	0	0	0	114.7	P61	P61-W63 PolarHBondContact O-N 3.48Å
64	H	74.2	Confident	81.9	Confident	91 Å²	91	51.4 Å²	51.4	42%	0.421	23%	0.228	S	C	.	.			trans	-76.9	130	-166.9	-169.9	-98.8	0	0	0	112.4	F60 P61 G66 R67	F60-H64 AromaticContact CD1-CE1 3.59Å; F60-H64 AromaticContact CD1-ND1 3.39Å; F60-H64 WeakPolarHBondContact CD1-ND1 3.21Å; F60-H64 AromaticContact CE1-CE1 3.97Å; P61-H64 WeakPolarHBondContact O-CB 3.4Å; P61-H64 PolarHBondContact O-N 2.99Å; H64-G66 WeakPolarHBondContact ND1-CA 3.5Å; H64-G66 PolarHBondContact ND1-N 3.06Å; H64-G66 PolarHBondContact O-N 3.33Å; H64-G66 VanDerWaalsContact O-N 3.11Å; H64-R67 WeakPolarHBondContact O-CB 3.44Å; H64-R67 PolarHBondContact O-N 3.4Å
65	R	68.3	Low	82	Confident	245 Å²	245	54.3 Å²	54.3	93%	0.925	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.6	179	-70.9	-171.4	176.5	-155.6	-0.2	113	R67	R65-R67 PolarHBondContact O-N 3.33Å
66	G	70.3	Confident	82.3	Confident	25 Å²	25	54.5 Å²	54.5	26%	0.258	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	26.2	176.7	0	0	0	0	0	115.5	R25 F60 H64	R25-G66 VanDerWaalsContact NH2-C 3.33Å; R25-G66 PolarHBondContact NH2-O 3.38Å; F60-G66 WeakPolarHBondContact CD1-O 3.33Å; F60-G66 WeakPolarHBondContact CG-O 3.2Å; H64-G66 WeakPolarHBondContact ND1-CA 3.5Å; H64-G66 PolarHBondContact ND1-N 3.06Å; H64-G66 PolarHBondContact O-N 3.33Å; H64-G66 VanDerWaalsContact O-N 3.11Å
67	R	84.4	Confident	82.7	Confident	95 Å²	95	58.2 Å²	58.2	36%	0.358	26%	0.256	S	S	.	.			trans	-68.1	163.2	171.9	74.5	-174.8	-169.6	-145	3.3	112.7	R25 F60 R62 H64 R65 T69	R25-R67 PolarHBondContact NH2-O 3.27Å; F60-R67 HydrophobicContact CB-CB 4.47Å; R62-R67 WeakPolarHBondContact O-CD 3.1Å; R62-R67 PolarHBondContact O-NH1 3.04Å; H64-R67 WeakPolarHBondContact O-CB 3.44Å; H64-R67 PolarHBondContact O-N 3.4Å; R65-R67 PolarHBondContact O-N 3.33Å; R67-T69 HydrophobicContact CG-CG2 4.17Å
68	V	89.6	Confident	83.2	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.024	26%	0.264	C	S	.	.			trans	-70.4	136.4	171.7	-171.3	0	0	0	0	108.7	L51 S55 L58 A94 L95	L51-V68 HydrophobicContact CD2-CG1 3.85Å; S55-V68 WeakPolarHBondContact OG-CA 3.29Å; S55-V68 VanDerWaalsContact OG-CB 3.3Å; S55-V68 WeakPolarHBondContact OG-CB 3.41Å; S55-V68 PolarHBondContact OG-N 3.49Å; S55-V68 PolarHBondContact OG-O 3.46Å; L58-V68 HydrophobicContact CD1-CG2 3.73Å; V68-A94 HydrophobicContact CG1-CB 3.86Å; V68-A94 HydrophobicContact CG2-CB 3.91Å; V68-L95 WeakPolarHBondContact CA-O 3.23Å
69	T	89.4	Confident	83.7	Confident	43 Å²	43	60.2 Å²	60.2	26%	0.264	27%	0.265	S	S	.	.			trans	-135.3	-11.7	175.1	53	0	0	0	0	113	R67 L95 G96 K97	R67-T69 HydrophobicContact CG-CG2 4.17Å; T69-L95 PolarHBondContact N-O 2.83Å; T69-G96 WeakPolarHBondContact OG1-CA 3.47Å; T69-G96 PolarHBondContact OG1-O 3.32Å; T69-K97 HydrophobicContact CG2-CG 4.13Å; T69-K97 PolarHBondContact OG1-N 2.81Å
70	R	92.2	Very high	84.2	Confident	110 Å²	110	68.9 Å²	68.9	42%	0.415	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	137.6	179.4	-55.9	177.3	82.6	165.6	4.3	108.3	Y72 E78 L95	R70-Y72 HydrophobicContact CB-CD2 4.45Å; R70-Y72 HydrophobicContact CB-CE2 3.62Å; R70-Y72 PolarHBondContact NE-OH 3.39Å; R70-E78 IonicContact CZ-OE1 2.69Å; R70-E78 IonicContact CZ-OE2 2.65Å; R70-E78 IonicContact NE-OE1 3.65Å; R70-E78 PolarHBondContact NE-OE1 2.93Å; R70-E78 IonicContact NH2-OE1 3.74Å; R70-E78 PolarHBondContact NH2-OE1 2.79Å; R70-E78 IonicContact NH2-OE2 3.62Å; R70-E78 PolarHBondContact NH2-OE2 3Å; R70-L95 PolarHBondContact N-O 3.31Å; R70-L95 PolarHBondContact O-N 2.97Å
71	L	93.8	Very high	84.3	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.7	171.5	-80.9	162.2	0	0	0	109.1	I23 F47 L51 L54 V79 F85 F92 A94	I23-L71 HydrophobicContact CG2-CD2 4.26Å; F47-L71 HydrophobicContact CE2-CD1 4.13Å; F47-L71 HydrophobicContact CZ-CD1 4.27Å; L51-L71 HydrophobicContact CD2-CB 4.46Å; L51-L71 HydrophobicContact CD2-CD1 3.59Å; L51-L71 HydrophobicContact CD2-CG 3.69Å; L54-L71 HydrophobicContact CD1-CD1 3.79Å; L54-L71 HydrophobicContact CD1-CD2 4.4Å; L71-V79 HydrophobicContact CB-CB 3.91Å; L71-V79 HydrophobicContact CB-CG2 3.99Å; L71-V79 PolarHBondContact O-N 2.69Å; L71-F85 HydrophobicContact CD1-CD2 3.93Å; L71-F85 HydrophobicContact CD1-CE2 4Å; L71-F92 HydrophobicContact CD2-CB 4.06Å; L71-A94 HydrophobicContact CD2-CB 3.81Å
72	Y	93.1	Very high	84.7	Confident	15 Å²	15	67.8 Å²	67.8	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.1	176.1	-64	-95.3	0	0	0	110.4	R70 R77 E78 F92 L93 L95 W127	R70-Y72 HydrophobicContact CB-CD2 4.45Å; R70-Y72 HydrophobicContact CB-CE2 3.62Å; R70-Y72 PolarHBondContact NE-OH 3.39Å; Y72-R77 CarbonylContact C-O 3.55Å; Y72-R77 WeakPolarHBondContact CA-O 3.39Å; Y72-E78 HydrophobicContact CD1-CB 3.86Å; Y72-E78 HydrophobicContact CD1-CG 4.38Å; Y72-E78 HydrophobicContact CE1-CB 3.62Å; Y72-E78 HydrophobicContact CE1-CG 3.93Å; Y72-F92 CarbonylContact O-C 3.6Å; Y72-F92 VanDerWaalsContact O-CA 3.25Å; Y72-F92 WeakPolarHBondContact O-CA 3.41Å; Y72-F92 WeakPolarHBondContact O-CB 3.4Å; Y72-L93 PolarHBondContact N-O 3.2Å; Y72-L93 PolarHBondContact O-N 3.08Å; Y72-L95 HydrophobicContact CD2-CB 4.29Å; Y72-L95 HydrophobicContact CD2-CD1 3.73Å; Y72-L95 HydrophobicContact CD2-CG 4.01Å; Y72-L95 HydrophobicContact CE2-CB 4.08Å; Y72-L95 HydrophobicContact CE2-CD1 3.7Å; Y72-L95 HydrophobicContact CE2-CG 4.18Å; Y72-W127 AromaticContact CD1-CH2 3.91Å; Y72-W127 HydrophobicContact CD1-CH2 3.91Å; Y72-W127 HydrophobicContact CD1-CZ2 4.48Å; Y72-W127 AromaticContact CD2-CH2 3.96Å; Y72-W127 HydrophobicContact CD2-CH2 3.96Å; Y72-W127 AromaticContact CG-CH2 3.59Å; Y72-W127 HydrophobicContact CG-CH2 3.59Å; Y72-W127 HydrophobicContact CG-CZ2 4.06Å
73	T	92	Very high	85.2	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	171.2	166.8	72.7	0	0	0	0	110.5	H75 A76 R77 V79 E89 F92	T73-H75 PolarHBondContact O-N 3.25Å; T73-A76 PolarHBondContact O-N 3.46Å; T73-R77 HydrophobicContact CG2-CB 4.07Å; T73-R77 PolarHBondContact N-O 3.47Å; T73-R77 WeakPolarHBondContact OG1-CB 3.36Å; T73-R77 PolarHBondContact OG1-N 3.01Å; T73-V79 HydrophobicContact CG2-CG2 4.37Å; T73-E89 VanDerWaalsContact CG2-CD 3.5Å; T73-E89 HydrophobicContact CG2-CG 3.83Å; T73-E89 WeakPolarHBondContact CG2-OE1 3.27Å; T73-F92 HydrophobicContact CG2-CD1 4.23Å; T73-F92 HydrophobicContact CG2-CE1 3.98Å
74	T	88.3	Confident	85.9	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-42.6	175.5	58	0	0	0	0	112	A76 A91 F113 Y119 W127	T74-A76 PolarHBondContact O-N 3.06Å; T74-A91 HydrophobicContact CG2-CB 4.1Å; T74-F113 HydrophobicContact CG2-CE2 3.51Å; T74-F113 HydrophobicContact CG2-CZ 3.79Å; T74-Y119 HydrophobicContact CG2-CE1 4.3Å; T74-Y119 PolarHBondContact OG1-OH 2.97Å; T74-W127 PolarHBondContact O-NE1 3.33Å
75	H	90.4	Very high	86.4	Confident	62 Å²	62	53.5 Å²	53.5	29%	0.287	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	32.3	178.4	-64.9	73.7	0	0	0	113.2	T73 R77 Y119 V126	T73-H75 PolarHBondContact O-N 3.25Å; H75-R77 PolarHBondContact O-N 3.37Å; H75-Y119 AromaticContact CE1-CE2 3.66Å; H75-Y119 AromaticContact CE1-CZ 3.55Å; H75-V126 VanDerWaalsContact O-CG1 3.29Å; H75-V126 WeakPolarHBondContact O-CG1 3.49Å
76	A	89.6	Confident	87	Confident	4 Å²	4	42.8 Å²	42.8	3%	0.033	20%	0.204	C	C	.	.			trans	58.9	14	172.5	0	0	0	0	0	116.5	T73 T74 E78 V126 W127 K130	T73-A76 PolarHBondContact O-N 3.46Å; T74-A76 PolarHBondContact O-N 3.06Å; A76-E78 PolarHBondContact O-N 2.84Å; A76-V126 HydrophobicContact CB-CG1 4.19Å; A76-W127 HydrophobicContact CB-CD2 3.47Å; A76-W127 VanDerWaalsContact CB-CD2 3.47Å; A76-W127 VanDerWaalsContact CB-CE2 3.41Å; A76-W127 HydrophobicContact CB-CE3 3.95Å; A76-W127 HydrophobicContact CB-CG 3.81Å; A76-W127 HydrophobicContact CB-CH2 4.3Å; A76-W127 HydrophobicContact CB-CZ2 3.86Å; A76-W127 HydrophobicContact CB-CZ3 4.34Å; A76-K130 HydrophobicContact CB-CD 3.77Å; A76-K130 WeakPolarHBondContact O-CD 3.26Å; A76-K130 PolarHBondContact O-NZ 2.94Å
77	R	90.8	Very high	87.1	Confident	105 Å²	105	45.4 Å²	45.4	40%	0.396	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-65.3	130.6	168.4	-171.1	171.3	77.3	-107.1	1.9	107.6	Y72 T73 H75 D84 E89	Y72-R77 CarbonylContact C-O 3.55Å; Y72-R77 WeakPolarHBondContact CA-O 3.39Å; T73-R77 HydrophobicContact CG2-CB 4.07Å; T73-R77 PolarHBondContact N-O 3.47Å; T73-R77 WeakPolarHBondContact OG1-CB 3.36Å; T73-R77 PolarHBondContact OG1-N 3.01Å; H75-R77 PolarHBondContact O-N 3.37Å; R77-D84 IonicContact NE-OD1 2.82Å; R77-D84 IonicContact NH2-OD1 3.42Å; R77-E89 IonicContact CZ-OE1 3.83Å; R77-E89 IonicContact NH1-OE1 3.14Å; R77-E89 PolarHBondContact NH1-OE1 2.83Å; R77-E89 IonicContact NH2-OE1 2.69Å; R77-E89 PolarHBondContact NH2-OE1 3.28Å
78	E	92.4	Very high	86.1	Confident	45 Å²	45	43.8 Å²	43.8	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.2	177.7	-179.6	168.5	-159	0	0	109.6	R70 Y72 A76	R70-E78 IonicContact CZ-OE1 2.69Å; R70-E78 IonicContact CZ-OE2 2.65Å; R70-E78 IonicContact NE-OE1 3.65Å; R70-E78 PolarHBondContact NE-OE1 2.93Å; R70-E78 IonicContact NH2-OE1 3.74Å; R70-E78 PolarHBondContact NH2-OE1 2.79Å; R70-E78 IonicContact NH2-OE2 3.62Å; R70-E78 PolarHBondContact NH2-OE2 3Å; Y72-E78 HydrophobicContact CD1-CB 3.86Å; Y72-E78 HydrophobicContact CD1-CG 4.38Å; Y72-E78 HydrophobicContact CE1-CB 3.62Å; Y72-E78 HydrophobicContact CE1-CG 3.93Å; A76-E78 PolarHBondContact O-N 2.84Å
79	V	91.8	Very high	85.6	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	121.5	176.9	-172.1	0	0	0	0	108.9	F47 L71 T73 D84 F85 F92	F47-V79 WeakPolarHBondContact CE1-O 3.14Å; F47-V79 HydrophobicContact CE2-CB 4.46Å; F47-V79 HydrophobicContact CE2-CG1 3.73Å; F47-V79 HydrophobicContact CZ-CB 4.07Å; F47-V79 HydrophobicContact CZ-CG1 3.78Å; F47-V79 VanDerWaalsContact CZ-O 3.24Å; F47-V79 WeakPolarHBondContact CZ-O 3.45Å; L71-V79 HydrophobicContact CB-CB 3.91Å; L71-V79 HydrophobicContact CB-CG2 3.99Å; L71-V79 PolarHBondContact O-N 2.69Å; T73-V79 HydrophobicContact CG2-CG2 4.37Å; V79-D84 VanDerWaalsContact CA-OD2 3.28Å; V79-D84 WeakPolarHBondContact CA-OD2 3.33Å; V79-D84 HydrophobicContact CG1-CB 4.17Å; V79-F85 HydrophobicContact CG1-CB 3.8Å; V79-F85 HydrophobicContact CG1-CD2 4.42Å; V79-F92 HydrophobicContact CG2-CD1 3.6Å; V79-F92 HydrophobicContact CG2-CE1 3.46Å; V79-F92 VanDerWaalsContact CG2-CE1 3.46Å
80	R	87.3	Confident	85.1	Confident	204 Å²	204	48.3 Å²	48.3	77%	0.77	25%	0.254	S	S	*	.			trans	-105	-10.6	-171.9	-67.9	-175.1	171.5	-163.3	-3.5	115.3	D84	R80-D84 PolarHBondContact N-OD2 3.05Å
81	G	83.9	Confident	84.9	Confident	20 Å²	20	43.3 Å²	43.3	21%	0.206	24%	0.236	C	C	.	.	S	Bend	trans	-172.4	177	-177.3	0	0	0	0	0	113.5	F47 C83 D84 F85	F47-G81 VanDerWaalsContact CD2-C 3.45Å; G81-C83 VanDerWaalsContact C-N 3.34Å; G81-C83 PolarHBondContact O-N 3.49Å; G81-D84 PolarHBondContact O-N 2.95Å; G81-F85 PolarHBondContact O-N 2.89Å
82	V	82.1	Confident	84.9	Confident	29 Å²	29	43.3 Å²	43.3	18%	0.176	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-42.2	-177.8	-174	0	0	0	0	111.6	R41 V44 F47 F85 F86	R41-V82 HydrophobicContact CG-CG1 4.44Å; V44-V82 HydrophobicContact CB-CG1 4.06Å; V44-V82 HydrophobicContact CG1-CB 4.48Å; V44-V82 HydrophobicContact CG1-CG1 3.8Å; V44-V82 HydrophobicContact CG1-CG2 3.8Å; F47-V82 HydrophobicContact CB-CG2 3.91Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 2.76Å; V82-F86 HydrophobicContact CG1-CD2 3.89Å; V82-F86 HydrophobicContact CG1-CE2 3.81Å; V82-F86 VanDerWaalsContact O-CD2 3.26Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.42Å
83	C	79.6	Confident	84.9	Confident	74 Å²	74	42.6 Å²	42.6	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-50.7	179.3	-56.7	0	0	0	0	111.9	G81 F85 F86 C87	G81-C83 VanDerWaalsContact C-N 3.34Å; G81-C83 PolarHBondContact O-N 3.49Å; C83-F85 VanDerWaalsContact C-N 3.27Å; C83-F85 PolarHBondContact O-N 3.19Å; C83-F86 CarbonylContact O-C 3.48Å; C83-F86 PolarHBondContact O-N 3.5Å; C83-C87 PolarHBondContact O-N 3.4Å; C83-C87 PolarHBondContact O-SG 2.97Å
84	D	81.5	Confident	84.9	Confident	37 Å²	37	42.6 Å²	42.6	20%	0.198	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-33.3	178.7	-174.3	17.6	0	0	0	112.4	R77 V79 R80 G81 F86 C87	R77-D84 IonicContact NE-OD1 2.82Å; R77-D84 IonicContact NH2-OD1 3.42Å; V79-D84 VanDerWaalsContact CA-OD2 3.28Å; V79-D84 WeakPolarHBondContact CA-OD2 3.33Å; V79-D84 HydrophobicContact CG1-CB 4.17Å; R80-D84 PolarHBondContact N-OD2 3.05Å; G81-D84 PolarHBondContact O-N 2.95Å; D84-F86 VanDerWaalsContact C-N 3.33Å; D84-F86 PolarHBondContact O-N 3.29Å; D84-C87 PolarHBondContact O-N 2.83Å
85	F	84.7	Confident	85.1	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-30.7	172.4	-177.7	-91.5	0	0	0	113.5	V21 I23 L39 F47 L50 L54 L71 V79 G81 V82 C83 F92	V21-F85 HydrophobicContact CB-CZ 4.33Å; V21-F85 HydrophobicContact CG1-CE2 4.39Å; V21-F85 HydrophobicContact CG1-CZ 3.87Å; V21-F85 HydrophobicContact CG2-CE1 4.28Å; V21-F85 HydrophobicContact CG2-CZ 4.27Å; I23-F85 HydrophobicContact CD1-CE2 4.23Å; I23-F85 HydrophobicContact CD1-CZ 4.18Å; L39-F85 HydrophobicContact CD1-CE1 3.57Å; L39-F85 HydrophobicContact CD1-CZ 3.56Å; F47-F85 HydrophobicContact CE2-CB 4.41Å; L50-F85 HydrophobicContact CD2-CB 4.29Å; L50-F85 HydrophobicContact CD2-CD1 3.74Å; L50-F85 HydrophobicContact CD2-CD2 3.93Å; L50-F85 HydrophobicContact CD2-CE1 4.03Å; L50-F85 HydrophobicContact CD2-CE2 4.18Å; L50-F85 HydrophobicContact CD2-CG 3.69Å; L50-F85 HydrophobicContact CD2-CZ 4.22Å; L54-F85 HydrophobicContact CD1-CE2 4.42Å; L71-F85 HydrophobicContact CD1-CD2 3.93Å; L71-F85 HydrophobicContact CD1-CE2 4Å; V79-F85 HydrophobicContact CG1-CB 3.8Å; V79-F85 HydrophobicContact CG1-CD2 4.42Å; G81-F85 PolarHBondContact O-N 2.89Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 2.76Å; C83-F85 VanDerWaalsContact C-N 3.27Å; C83-F85 PolarHBondContact O-N 3.19Å; F85-F92 HydrophobicContact CD2-CD2 4.33Å; F85-F92 HydrophobicContact CD2-CE1 4.28Å; F85-F92 AromaticContact CD2-CE2 3.91Å; F85-F92 HydrophobicContact CD2-CE2 3.91Å; F85-F92 AromaticContact CD2-CZ 3.86Å; F85-F92 HydrophobicContact CD2-CZ 3.86Å; F85-F92 AromaticContact CE2-CD2 3.78Å; F85-F92 HydrophobicContact CE2-CD2 3.78Å; F85-F92 AromaticContact CE2-CE2 3.63Å; F85-F92 HydrophobicContact CE2-CE2 3.63Å; F85-F92 HydrophobicContact CE2-CG 4.35Å; F85-F92 HydrophobicContact CE2-CZ 4.08Å; F85-F92 HydrophobicContact CG-CZ 4.37Å; F85-F92 HydrophobicContact CZ-CD2 4.36Å; F85-F92 HydrophobicContact CZ-CE2 4.06Å; F85-F92 WeakPolarHBondContact O-CZ 3.45Å
86	F	79.5	Confident	84.9	Confident	21 Å²	21	40.9 Å²	40.9	9%	0.092	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	10.5	178.5	-72.1	-72.4	0	0	0	113.6	H19 L39 R41 V44 V82 C83 D84 G88	H19-F86 HydrophobicContact CB-CD1 4.29Å; H19-F86 HydrophobicContact CB-CE1 4.33Å; L39-F86 HydrophobicContact CB-CE1 4.01Å; L39-F86 HydrophobicContact CB-CZ 4.02Å; L39-F86 WeakPolarHBondContact O-CE1 3.33Å; R41-F86 VanDerWaalsContact CA-CE2 3.49Å; R41-F86 HydrophobicContact CB-CD1 4.37Å; R41-F86 HydrophobicContact CB-CD2 3.72Å; R41-F86 HydrophobicContact CB-CE1 4.37Å; R41-F86 HydrophobicContact CB-CE2 3.74Å; R41-F86 HydrophobicContact CB-CG 4.07Å; R41-F86 HydrophobicContact CB-CZ 4.06Å; R41-F86 HydrophobicContact CG-CD2 3.73Å; R41-F86 HydrophobicContact CG-CE2 4.01Å; R41-F86 HydrophobicContact CG-CG 4.33Å; V44-F86 HydrophobicContact CB-CE2 4.46Å; V44-F86 HydrophobicContact CG2-CE2 4.04Å; V44-F86 HydrophobicContact CG2-CZ 4.06Å; V82-F86 HydrophobicContact CG1-CD2 3.89Å; V82-F86 HydrophobicContact CG1-CE2 3.81Å; V82-F86 VanDerWaalsContact O-CD2 3.26Å; V82-F86 WeakPolarHBondContact O-CD2 3.31Å; V82-F86 PolarHBondContact O-N 3.42Å; C83-F86 CarbonylContact O-C 3.48Å; C83-F86 PolarHBondContact O-N 3.5Å; D84-F86 VanDerWaalsContact C-N 3.33Å; D84-F86 PolarHBondContact O-N 3.29Å; F86-G88 PolarHBondContact O-N 2.85Å
87	C	73.5	Confident	84.6	Confident	80 Å²	80	49.1 Å²	49.1	54%	0.541	27%	0.265	S	S	.	.	S	Bend	trans	-77.9	55.1	176.7	-71.9	0	0	0	0	113.3	C83 D84 E89	C83-C87 PolarHBondContact O-N 3.4Å; C83-C87 PolarHBondContact O-SG 2.97Å; D84-C87 PolarHBondContact O-N 2.83Å; C87-E89 VanDerWaalsContact C-N 3.25Å; C87-E89 PolarHBondContact O-N 2.98Å; C87-E89 VanDerWaalsContact O-N 3.1Å
88	G	63.3	Low	84.1	Confident	60 Å²	60	48 Å²	48	62%	0.619	28%	0.278	S	S	*	.	S	Bend	trans	72.9	-3.5	168.4	0	0	0	0	0	117.6	F86 V90	F86-G88 PolarHBondContact O-N 2.85Å; G88-V90 PolarHBondContact O-N 3.09Å
89	E	78.4	Confident	83.6	Confident	46 Å²	46	53.2 Å²	53.2	22%	0.215	30%	0.296	C	S	.	.			trans	-78.1	118.5	179.7	-58.8	-91.1	-176.4	0	0	110.8	T73 R77 C87 F92	T73-E89 VanDerWaalsContact CG2-CD 3.5Å; T73-E89 HydrophobicContact CG2-CG 3.83Å; T73-E89 WeakPolarHBondContact CG2-OE1 3.27Å; R77-E89 IonicContact CZ-OE1 3.83Å; R77-E89 IonicContact NH1-OE1 3.14Å; R77-E89 PolarHBondContact NH1-OE1 2.83Å; R77-E89 IonicContact NH2-OE1 2.69Å; R77-E89 PolarHBondContact NH2-OE1 3.28Å; C87-E89 VanDerWaalsContact C-N 3.25Å; C87-E89 PolarHBondContact O-N 2.98Å; C87-E89 VanDerWaalsContact O-N 3.1Å; E89-F92 HydrophobicContact CB-CE1 3.89Å; E89-F92 HydrophobicContact CB-CE2 4.11Å; E89-F92 HydrophobicContact CB-CZ 3.53Å; E89-F92 HydrophobicContact CG-CE1 4.39Å; E89-F92 HydrophobicContact CG-CZ 4.37Å; E89-F92 WeakPolarHBondContact O-CE2 3.44Å
90	V	79.4	Confident	83.2	Confident	97 Å²	97	54.3 Å²	54.3	59%	0.588	30%	0.303	S	S	*	.			trans	-84.9	-8.6	179.8	-62.1	0	0	0	0	114.2	T22 G88	T22-V90 PolarHBondContact N-O 3.31Å; G88-V90 PolarHBondContact O-N 3.09Å
91	A	88.1	Confident	83.2	Confident	5 Å²	5	49.2 Å²	49.2	4%	0.041	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	135.9	-174.6	0	0	0	0	0	114	T22 T74 L112 F113	T22-A91 CarbonylContact O-C 3.59Å; T22-A91 WeakPolarHBondContact O-CA 3.33Å; T74-A91 HydrophobicContact CG2-CB 4.1Å; A91-L112 HydrophobicContact CB-CD1 4.31Å; A91-L112 HydrophobicContact CB-CD2 4.04Å; A91-F113 HydrophobicContact CB-CE2 4.39Å; A91-F113 HydrophobicContact CB-CZ 3.89Å
92	F	93.7	Very high	83.4	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150.6	179.7	-59.6	-90.9	0	0	0	113.7	V21 T22 I23 V24 L71 Y72 T73 V79 F85 E89	V21-F92 HydrophobicContact CG1-CD2 3.35Å; V21-F92 HydrophobicContact CG1-CE2 3.46Å; V21-F92 VanDerWaalsContact CG1-CE2 3.46Å; T22-F92 PolarHBondContact O-N 2.87Å; I23-F92 WeakPolarHBondContact CA-O 3.49Å; I23-F92 HydrophobicContact CG1-CB 4.38Å; V24-F92 PolarHBondContact N-O 3.01Å; L71-F92 HydrophobicContact CD2-CB 4.06Å; Y72-F92 CarbonylContact O-C 3.6Å; Y72-F92 VanDerWaalsContact O-CA 3.25Å; Y72-F92 WeakPolarHBondContact O-CA 3.41Å; Y72-F92 WeakPolarHBondContact O-CB 3.4Å; T73-F92 HydrophobicContact CG2-CD1 4.23Å; T73-F92 HydrophobicContact CG2-CE1 3.98Å; V79-F92 HydrophobicContact CG2-CD1 3.6Å; V79-F92 HydrophobicContact CG2-CE1 3.46Å; V79-F92 VanDerWaalsContact CG2-CE1 3.46Å; F85-F92 HydrophobicContact CD2-CD2 4.33Å; F85-F92 HydrophobicContact CD2-CE1 4.28Å; F85-F92 AromaticContact CD2-CE2 3.91Å; F85-F92 HydrophobicContact CD2-CE2 3.91Å; F85-F92 AromaticContact CD2-CZ 3.86Å; F85-F92 HydrophobicContact CD2-CZ 3.86Å; F85-F92 AromaticContact CE2-CD2 3.78Å; F85-F92 HydrophobicContact CE2-CD2 3.78Å; F85-F92 AromaticContact CE2-CE2 3.63Å; F85-F92 HydrophobicContact CE2-CE2 3.63Å; F85-F92 HydrophobicContact CE2-CG 4.35Å; F85-F92 HydrophobicContact CE2-CZ 4.08Å; F85-F92 HydrophobicContact CG-CZ 4.37Å; F85-F92 HydrophobicContact CZ-CD2 4.36Å; F85-F92 HydrophobicContact CZ-CE2 4.06Å; F85-F92 WeakPolarHBondContact O-CZ 3.45Å; E89-F92 HydrophobicContact CB-CE1 3.89Å; E89-F92 HydrophobicContact CB-CE2 4.11Å; E89-F92 HydrophobicContact CB-CZ 3.53Å; E89-F92 HydrophobicContact CG-CE1 4.39Å; E89-F92 HydrophobicContact CG-CZ 4.37Å; E89-F92 WeakPolarHBondContact O-CE2 3.44Å
93	L	92.8	Very high	83.7	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118	168.9	-76.3	76.3	0	0	0	109.7	V24 Y72 V105 A108 L109 L112 W127	V24-L93 WeakPolarHBondContact O-CA 3.22Å; Y72-L93 PolarHBondContact N-O 3.2Å; Y72-L93 PolarHBondContact O-N 3.08Å; L93-V105 HydrophobicContact CD2-CG1 3.86Å; L93-A108 HydrophobicContact CD2-CB 4.12Å; L93-A108 HydrophobicContact CG-CB 4.41Å; L93-L109 HydrophobicContact CD1-CD2 4.34Å; L93-L112 HydrophobicContact CD1-CD1 3.86Å; L93-W127 HydrophobicContact CB-CZ2 4.33Å; L93-W127 HydrophobicContact CD2-CZ2 3.97Å
94	A	93.1	Very high	84	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	109.4	-177.3	0	0	0	0	0	111.3	I23 V24 R25 L58 V68 L71	I23-A94 HydrophobicContact CG2-CB 3.58Å; V24-A94 PolarHBondContact O-N 3.36Å; R25-A94 HydrophobicContact CB-CB 4.41Å; R25-A94 WeakPolarHBondContact CD-O 3.15Å; R25-A94 WeakPolarHBondContact CG-O 3.38Å; R25-A94 VanDerWaalsContact NH1-C 3.3Å; R25-A94 PolarHBondContact NH1-O 3Å; L58-A94 HydrophobicContact CD1-CB 3.73Å; V68-A94 HydrophobicContact CG1-CB 3.86Å; V68-A94 HydrophobicContact CG2-CB 3.91Å; L71-A94 HydrophobicContact CD2-CB 3.81Å
95	L	90.8	Very high	84.4	Confident	13 Å²	13	50.6 Å²	50.6	7%	0.068	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	162.7	-173.1	-61.1	-173.5	0	0	0	113.5	R25 P26 V68 T69 R70 Y72 P100 W127	R25-L95 VanDerWaalsContact NH1-CA 3.29Å; R25-L95 PolarHBondContact NH1-O 2.71Å; P26-L95 HydrophobicContact CG-CD2 4.26Å; V68-L95 WeakPolarHBondContact CA-O 3.23Å; T69-L95 PolarHBondContact N-O 2.83Å; R70-L95 PolarHBondContact N-O 3.31Å; R70-L95 PolarHBondContact O-N 2.97Å; Y72-L95 HydrophobicContact CD2-CB 4.29Å; Y72-L95 HydrophobicContact CD2-CD1 3.73Å; Y72-L95 HydrophobicContact CD2-CG 4.01Å; Y72-L95 HydrophobicContact CE2-CB 4.08Å; Y72-L95 HydrophobicContact CE2-CD1 3.7Å; Y72-L95 HydrophobicContact CE2-CG 4.18Å; L95-P100 HydrophobicContact CD1-CB 4.1Å; L95-P100 HydrophobicContact CD1-CG 3.66Å; L95-P100 HydrophobicContact CD2-CB 4.23Å; L95-W127 HydrophobicContact CD1-CH2 3.76Å; L95-W127 HydrophobicContact CD1-CZ3 4.05Å
96	G	87.4	Confident	84.6	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	31%	0.309	C	S	.	.			trans	-102	-160.2	-177.4	0	0	0	0	0	112.5	T69 A98	T69-G96 WeakPolarHBondContact OG1-CA 3.47Å; T69-G96 PolarHBondContact OG1-O 3.32Å; G96-A98 VanDerWaalsContact C-N 3.31Å
97	K	82.1	Confident	85.1	Confident	177 Å²	177	56.9 Å²	56.9	77%	0.77	33%	0.325	S	S	*	.	S	Bend	trans	-71.8	-24.1	171.3	-67.8	-164.3	174.4	-166.1	0	113.3	T69	T69-K97 HydrophobicContact CG2-CG 4.13Å; T69-K97 PolarHBondContact OG1-N 2.81Å
98	A	80.9	Confident	85.8	Confident	81 Å²	81	53.1 Å²	53.1	67%	0.669	30%	0.299	S	S	*	.	S	Bend	trans	-77.6	143.5	175.6	0	0	0	0	0	111.4	G96	G96-A98 VanDerWaalsContact C-N 3.31Å
99	R	81.3	Confident	87	Confident	155 Å²	155	50.3 Å²	50.3	59%	0.585	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-64.2	134	168.9	-171.5	-179.8	-171.9	138.6	4.3	108.9	L131 R132	R99-L131 HydrophobicContact CG-CD2 4.32Å; R99-L131 VanDerWaalsContact NH2-C 3.32Å; R99-L131 PolarHBondContact NH2-O 2.8Å; R99-R132 VanDerWaalsContact NH2-C 3.34Å; R99-R132 PolarHBondContact NH2-O 3.04Å
100	P	84.9	Confident	87.4	Confident	26 Å²	26	51.8 Å²	51.8	17%	0.169	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-73.5	159	175.6	35.7	-38.8	0	0	0	110.7	L95 V105 W127 L131	L95-P100 HydrophobicContact CD1-CB 4.1Å; L95-P100 HydrophobicContact CD1-CG 3.66Å; L95-P100 HydrophobicContact CD2-CB 4.23Å; P100-V105 HydrophobicContact CB-CG2 3.89Å; P100-V105 HydrophobicContact CG-CG2 4.15Å; P100-W127 HydrophobicContact CG-CZ3 4.29Å; P100-L131 HydrophobicContact CG-CD1 4.08Å; P100-L131 HydrophobicContact CG-CD2 3.68Å
101	V	86.8	Confident	87.7	Confident	96 Å²	96	51.1 Å²	51.1	58%	0.582	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-95.4	144.9	169	-178.6	0	0	0	0	108.4	N103 S104 V105	V101-N103 PolarHBondContact O-N 3.3Å; V101-S104 PolarHBondContact N-OG 3.09Å; V101-S104 PolarHBondContact O-N 2.76Å; V101-S104 VanDerWaalsContact O-N 3.11Å; V101-S104 PolarHBondContact O-OG 3.42Å; V101-V105 PolarHBondContact O-N 3.39Å
102	L	88.3	Confident	87.5	Confident	52 Å²	52	52 Å²	52	27%	0.272	27%	0.271	S	S	.	.	H	α-helix	trans	-54	-48.2	-174.9	-175.1	67.2	0	0	0	112.7	S104 V105 Q106 L124 W127 E128 L131	L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.48Å; L102-V105 CarbonylContact O-C 3.55Å; L102-V105 WeakPolarHBondContact O-CA 3.26Å; L102-V105 WeakPolarHBondContact O-CB 3.29Å; L102-V105 PolarHBondContact O-N 2.92Å; L102-Q106 PolarHBondContact O-N 3.42Å; L102-L124 HydrophobicContact CD1-CD1 3.6Å; L102-L124 HydrophobicContact CD1-CG 4.35Å; L102-L124 HydrophobicContact CG-CD1 4.14Å; L102-W127 HydrophobicContact CD1-CB 4.45Å; L102-E128 HydrophobicContact CD1-CG 3.75Å; L102-E128 HydrophobicContact CD2-CG 3.7Å; L102-E128 HydrophobicContact CG-CG 4.39Å; L102-L131 HydrophobicContact CD1-CD1 4.38Å
103	N	87.1	Confident	87.1	Confident	107 Å²	107	53.6 Å²	53.6	57%	0.572	28%	0.279	S	S	*	.	H	α-helix	trans	-54.2	-45.6	178.8	-52.7	41.8	0	0	0	111.3	V101 V105 Q106 D107	V101-N103 PolarHBondContact O-N 3.3Å; N103-V105 PolarHBondContact O-N 2.96Å; N103-Q106 WeakPolarHBondContact O-CA 3.24Å; N103-Q106 WeakPolarHBondContact O-CB 3.17Å; N103-Q106 PolarHBondContact O-N 3.46Å; N103-D107 PolarHBondContact O-N 3.23Å
104	S	87.5	Confident	86.5	Confident	30 Å²	30	57.1 Å²	57.1	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-19.2	-180	75	0	0	0	0	113.8	P26 V101 L102 D107	P26-S104 VanDerWaalsContact CB-O 3.29Å; P26-S104 WeakPolarHBondContact CB-O 3.47Å; P26-S104 WeakPolarHBondContact CG-O 3.46Å; V101-S104 PolarHBondContact N-OG 3.09Å; V101-S104 PolarHBondContact O-N 2.76Å; V101-S104 VanDerWaalsContact O-N 3.11Å; V101-S104 PolarHBondContact O-OG 3.42Å; L102-S104 VanDerWaalsContact C-N 3.28Å; L102-S104 PolarHBondContact O-N 3.48Å; S104-D107 WeakPolarHBondContact CA-OD2 3.44Å
105	V	88.7	Confident	85.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-81.9	-39.3	168.7	172.6	0	0	0	0	111	L93 P100 V101 L102 N103 A108 L109 W127 L131	L93-V105 HydrophobicContact CD2-CG1 3.86Å; P100-V105 HydrophobicContact CB-CG2 3.89Å; P100-V105 HydrophobicContact CG-CG2 4.15Å; V101-V105 PolarHBondContact O-N 3.39Å; L102-V105 CarbonylContact O-C 3.55Å; L102-V105 WeakPolarHBondContact O-CA 3.26Å; L102-V105 WeakPolarHBondContact O-CB 3.29Å; L102-V105 PolarHBondContact O-N 2.92Å; N103-V105 PolarHBondContact O-N 2.96Å; V105-A108 PolarHBondContact O-N 3.49Å; V105-L109 HydrophobicContact CG1-CD1 4.3Å; V105-L109 WeakPolarHBondContact O-CG 3.48Å; V105-L109 PolarHBondContact O-N 3.18Å; V105-L109 VanDerWaalsContact O-N 3.08Å; V105-W127 HydrophobicContact CG1-CB 3.97Å; V105-W127 HydrophobicContact CG1-CD2 3.64Å; V105-W127 HydrophobicContact CG1-CE3 4.28Å; V105-W127 HydrophobicContact CG1-CG 3.48Å; V105-W127 VanDerWaalsContact CG1-CG 3.48Å; V105-W127 HydrophobicContact CG2-CD2 4.42Å; V105-W127 HydrophobicContact CG2-CE3 4.25Å; V105-L131 HydrophobicContact CG2-CD1 4.25Å
106	Q	90.1	Very high	85.4	Confident	76 Å²	76	69.7 Å²	69.7	36%	0.355	36%	0.36	S	S	.	.	H	α-helix	trans	-56.3	-56.4	171.5	179.8	-179.6	-14.2	0	0	110.1	L102 N103 A108 L109 E110 L124	L102-Q106 PolarHBondContact O-N 3.42Å; N103-Q106 WeakPolarHBondContact O-CA 3.24Å; N103-Q106 WeakPolarHBondContact O-CB 3.17Å; N103-Q106 PolarHBondContact O-N 3.46Å; Q106-A108 PolarHBondContact O-N 2.79Å; Q106-A108 VanDerWaalsContact O-N 3.09Å; Q106-L109 WeakPolarHBondContact O-CA 3.42Å; Q106-L109 WeakPolarHBondContact O-CB 3.42Å; Q106-L109 PolarHBondContact O-N 2.74Å; Q106-E110 HydrophobicContact CG-CG 4.11Å; Q106-E110 PolarHBondContact NE2-OE1 2.77Å; Q106-E110 WeakPolarHBondContact O-CG 3.46Å; Q106-E110 PolarHBondContact O-N 2.87Å; Q106-L124 HydrophobicContact CB-CD1 3.91Å; Q106-L124 HydrophobicContact CB-CD2 4.15Å; Q106-L124 HydrophobicContact CG-CD2 4.09Å
107	D	89.1	Confident	85.2	Confident	80 Å²	80	72.5 Å²	72.5	43%	0.428	38%	0.377	S	S	.	.	H	α-helix	trans	-45.1	-46.9	177.2	-57	-23.1	0	0	0	111.2	L32 N103 S104 L109 E110 E111	L32-D107 HydrophobicContact CD1-CB 4.07Å; L32-D107 VanDerWaalsContact CD1-O 3.29Å; L32-D107 WeakPolarHBondContact CD1-O 3.21Å; L32-D107 HydrophobicContact CD2-CB 3.93Å; L32-D107 HydrophobicContact CG-CB 4.24Å; N103-D107 PolarHBondContact O-N 3.23Å; S104-D107 WeakPolarHBondContact CA-OD2 3.44Å; D107-L109 PolarHBondContact O-N 3.41Å; D107-E110 PolarHBondContact O-N 2.94Å; D107-E111 PolarHBondContact O-N 2.88Å
108	A	88.6	Confident	85.1	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-30	-179.3	0	0	0	0	0	114	V24 P26 L32 L93 V105 Q106 L112	V24-A108 HydrophobicContact CB-CB 4.5Å; V24-A108 HydrophobicContact CG1-CB 3.62Å; P26-A108 HydrophobicContact CG-CB 4.14Å; L32-A108 HydrophobicContact CD2-CB 3.95Å; L93-A108 HydrophobicContact CD2-CB 4.12Å; L93-A108 HydrophobicContact CG-CB 4.41Å; V105-A108 PolarHBondContact O-N 3.49Å; Q106-A108 PolarHBondContact O-N 2.79Å; Q106-A108 VanDerWaalsContact O-N 3.09Å; A108-L112 WeakPolarHBondContact O-CB 3.37Å; A108-L112 WeakPolarHBondContact O-CD1 3.34Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 2.79Å
109	L	87.5	Confident	85.1	Confident	2 Å²	2	72.3 Å²	72.3	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-74.8	-35	172.2	-68.6	169	0	0	0	111.3	L93 V105 Q106 D107 L112 F113 R120 A123 L124	L93-L109 HydrophobicContact CD1-CD2 4.34Å; V105-L109 HydrophobicContact CG1-CD1 4.3Å; V105-L109 WeakPolarHBondContact O-CG 3.48Å; V105-L109 PolarHBondContact O-N 3.18Å; V105-L109 VanDerWaalsContact O-N 3.08Å; Q106-L109 WeakPolarHBondContact O-CA 3.42Å; Q106-L109 WeakPolarHBondContact O-CB 3.42Å; Q106-L109 PolarHBondContact O-N 2.74Å; D107-L109 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 3.03Å; L109-F113 PolarHBondContact O-N 3Å; L109-R120 HydrophobicContact CB-CG 4.35Å; L109-R120 VanDerWaalsContact O-CD 3.24Å; L109-R120 WeakPolarHBondContact O-CD 3.16Å; L109-A123 HydrophobicContact CD1-CB 3.93Å; L109-A123 HydrophobicContact CD2-CB 4.09Å; L109-L124 HydrophobicContact CD1-CB 4.3Å; L109-L124 HydrophobicContact CD1-CD1 4.45Å
110	E	88.1	Confident	85.5	Confident	77 Å²	77	67.1 Å²	67.1	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-43.9	176	-42.2	-146.1	150	0	0	111.5	Q106 D107 L112 F113 P114 R120	Q106-E110 HydrophobicContact CG-CG 4.11Å; Q106-E110 PolarHBondContact NE2-OE1 2.77Å; Q106-E110 WeakPolarHBondContact O-CG 3.46Å; Q106-E110 PolarHBondContact O-N 2.87Å; D107-E110 PolarHBondContact O-N 2.94Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.35Å; E110-F113 PolarHBondContact O-N 3.43Å; E110-P114 WeakPolarHBondContact O-CA 3.32Å; E110-P114 WeakPolarHBondContact O-CD 3.44Å; E110-R120 IonicContact OE1-NH1 2.68Å; E110-R120 PolarHBondContact OE1-NH1 3.18Å; E110-R120 IonicContact OE2-NH1 2.73Å
111	E	85.8	Confident	85.5	Confident	83 Å²	83	68 Å²	68	39%	0.388	35%	0.351	S	S	.	.	H	α-helix	trans	-68.2	-22.9	174.2	172.7	63.9	-130.2	0	0	113.9	V24 L32 K34 D107	V24-E111 HydrophobicContact CG2-CG 4.32Å; L32-E111 HydrophobicContact CD1-CB 3.38Å; L32-E111 HydrophobicContact CD1-CG 3.8Å; K34-E111 HydrophobicContact CD-CG 3.91Å; K34-E111 WeakPolarHBondContact CD-OE1 3.14Å; K34-E111 WeakPolarHBondContact CE-OE1 3.24Å; K34-E111 PolarHBondContact NZ-O 3.36Å; K34-E111 IonicContact NZ-OE1 3.22Å; K34-E111 PolarHBondContact NZ-OE1 2.78Å; D107-E111 PolarHBondContact O-N 2.88Å
112	L	83.4	Confident	85.7	Confident	22 Å²	22	66.5 Å²	66.5	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-85.2	-36.8	174.3	-77.9	172.3	0	0	0	112.7	T22 V24 A91 L93 A108 L109 E110	T22-L112 HydrophobicContact CG2-CD2 3.58Å; V24-L112 HydrophobicContact CB-CD1 4.4Å; V24-L112 HydrophobicContact CB-CD2 4.35Å; V24-L112 HydrophobicContact CB-CG 4.22Å; V24-L112 HydrophobicContact CG2-CD1 4.43Å; V24-L112 HydrophobicContact CG2-CD2 3.57Å; V24-L112 HydrophobicContact CG2-CG 3.76Å; A91-L112 HydrophobicContact CB-CD1 4.31Å; A91-L112 HydrophobicContact CB-CD2 4.04Å; L93-L112 HydrophobicContact CD1-CD1 3.86Å; A108-L112 WeakPolarHBondContact O-CB 3.37Å; A108-L112 WeakPolarHBondContact O-CD1 3.34Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 2.79Å; L109-L112 PolarHBondContact O-N 3.03Å; E110-L112 VanDerWaalsContact C-N 3.3Å; E110-L112 PolarHBondContact O-N 3.35Å
113	F	85.4	Confident	85.6	Confident	35 Å²	35	64 Å²	64	15%	0.154	33%	0.327	C	S	.	.			trans	-141.4	62.2	-169.8	-54.8	-82	0	0	0	113	T74 A91 L109 E110 E115 H116 Y119 R120	T74-F113 HydrophobicContact CG2-CE2 3.51Å; T74-F113 HydrophobicContact CG2-CZ 3.79Å; A91-F113 HydrophobicContact CB-CE2 4.39Å; A91-F113 HydrophobicContact CB-CZ 3.89Å; L109-F113 PolarHBondContact O-N 3Å; E110-F113 PolarHBondContact O-N 3.43Å; F113-E115 PolarHBondContact O-N 3.06Å; F113-H116 HydrophobicContact CB-CB 4.1Å; F113-H116 PolarHBondContact O-N 3.21Å; F113-H116 VanDerWaalsContact O-N 3.11Å; F113-Y119 HydrophobicContact CD1-CD1 4.48Å; F113-Y119 HydrophobicContact CD1-CE1 4.36Å; F113-Y119 HydrophobicContact CD2-CD1 4.03Å; F113-Y119 AromaticContact CD2-CE1 3.79Å; F113-Y119 HydrophobicContact CD2-CE1 3.79Å; F113-Y119 HydrophobicContact CE1-CE1 4.17Å; F113-Y119 HydrophobicContact CE2-CD1 4.3Å; F113-Y119 AromaticContact CE2-CE1 3.59Å; F113-Y119 HydrophobicContact CE2-CE1 3.59Å; F113-Y119 HydrophobicContact CG-CD1 4.14Å; F113-Y119 HydrophobicContact CG-CE1 4.19Å; F113-Y119 AromaticContact CZ-CE1 3.79Å; F113-Y119 HydrophobicContact CZ-CE1 3.79Å; F113-R120 HydrophobicContact CB-CG 4.07Å; F113-R120 WeakPolarHBondContact O-CD 3.34Å; F113-R120 PolarHBondContact O-NE 2.98Å
114	P	80.8	Confident	85.8	Confident	74 Å²	74	60.1 Å²	60.1	48%	0.481	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-50.9	-173.7	20.4	-32.6	0	0	0	112	E110 H116 R120	E110-P114 WeakPolarHBondContact O-CA 3.32Å; E110-P114 WeakPolarHBondContact O-CD 3.44Å; P114-H116 VanDerWaalsContact C-N 3.31Å; P114-H116 PolarHBondContact O-N 3.2Å; P114-R120 PolarHBondContact O-NE 2.94Å; P114-R120 PolarHBondContact O-NH2 3.18Å
115	E	76.8	Confident	86	Confident	162 Å²	162	65.3 Å²	65.3	76%	0.757	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.9	-177.5	-48.8	-42.9	118.6	0	0	115	F113 S117	F113-E115 PolarHBondContact O-N 3.06Å; E115-S117 PolarHBondContact O-N 3.32Å
116	H	83.8	Confident	86.1	Confident	115 Å²	115	67.9 Å²	67.9	53%	0.532	34%	0.337	S	S	.	.			trans	-102.2	58.7	-167.6	-56.4	68.7	0	0	0	112.6	F113 P114 H118 Y119 R120	F113-H116 HydrophobicContact CB-CB 4.1Å; F113-H116 PolarHBondContact O-N 3.21Å; F113-H116 VanDerWaalsContact O-N 3.11Å; P114-H116 VanDerWaalsContact C-N 3.31Å; P114-H116 PolarHBondContact O-N 3.2Å; H116-H118 VanDerWaalsContact C-N 3.33Å; H116-H118 PolarHBondContact O-N 2.96Å; H116-Y119 WeakPolarHBondContact O-CB 3.49Å; H116-Y119 PolarHBondContact O-N 3.33Å; H116-R120 PolarHBondContact O-N 2.93Å
117	S	81.8	Confident	86.2	Confident	72 Å²	72	64.4 Å²	64.4	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-48.4	-46.9	-175.9	-175.2	0	0	0	0	114.2	E115 Y119 R120 A121	E115-S117 PolarHBondContact O-N 3.32Å; S117-Y119 PolarHBondContact O-N 3.24Å; S117-R120 PolarHBondContact O-N 3.1Å; S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 2.86Å
118	H	79.6	Confident	86.4	Confident	171 Å²	171	64 Å²	64	79%	0.792	32%	0.316	S	S	*	.	H	α-helix	trans	-63.8	-37.1	179.2	-67.8	-75.5	0	0	0	113.8	H116 A121 D122	H116-H118 VanDerWaalsContact C-N 3.33Å; H116-H118 PolarHBondContact O-N 2.96Å; H118-A121 PolarHBondContact O-N 2.77Å; H118-D122 PolarHBondContact O-N 3.03Å
119	Y	82.9	Confident	86.4	Confident	84 Å²	84	72 Å²	72	33%	0.329	35%	0.351	S	S	.	.	H	α-helix	trans	-67.8	-43.5	176.2	-178.4	-84	0	0	0	110.8	T74 H75 F113 H116 S117 A121 D122 A123	T74-Y119 HydrophobicContact CG2-CE1 4.3Å; T74-Y119 PolarHBondContact OG1-OH 2.97Å; H75-Y119 AromaticContact CE1-CE2 3.66Å; H75-Y119 AromaticContact CE1-CZ 3.55Å; F113-Y119 HydrophobicContact CD1-CD1 4.48Å; F113-Y119 HydrophobicContact CD1-CE1 4.36Å; F113-Y119 HydrophobicContact CD2-CD1 4.03Å; F113-Y119 AromaticContact CD2-CE1 3.79Å; F113-Y119 HydrophobicContact CD2-CE1 3.79Å; F113-Y119 HydrophobicContact CE1-CE1 4.17Å; F113-Y119 HydrophobicContact CE2-CD1 4.3Å; F113-Y119 AromaticContact CE2-CE1 3.59Å; F113-Y119 HydrophobicContact CE2-CE1 3.59Å; F113-Y119 HydrophobicContact CG-CD1 4.14Å; F113-Y119 HydrophobicContact CG-CE1 4.19Å; F113-Y119 AromaticContact CZ-CE1 3.79Å; F113-Y119 HydrophobicContact CZ-CE1 3.79Å; H116-Y119 WeakPolarHBondContact O-CB 3.49Å; H116-Y119 PolarHBondContact O-N 3.33Å; S117-Y119 PolarHBondContact O-N 3.24Å; Y119-A121 VanDerWaalsContact C-N 3.34Å; Y119-A121 PolarHBondContact O-N 3.41Å; Y119-D122 PolarHBondContact O-N 2.8Å; Y119-A123 WeakPolarHBondContact O-CB 3.29Å; Y119-A123 PolarHBondContact O-N 2.93Å
120	R	89.2	Confident	86.4	Confident	46 Å²	46	76.1 Å²	76.1	17%	0.174	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-44.6	175.1	-65.9	-167.5	-81.1	127.8	-14.4	111.6	L109 E110 F113 P114 H116 S117 D122 L124	L109-R120 HydrophobicContact CB-CG 4.35Å; L109-R120 VanDerWaalsContact O-CD 3.24Å; L109-R120 WeakPolarHBondContact O-CD 3.16Å; E110-R120 IonicContact OE1-NH1 2.68Å; E110-R120 PolarHBondContact OE1-NH1 3.18Å; E110-R120 IonicContact OE2-NH1 2.73Å; F113-R120 HydrophobicContact CB-CG 4.07Å; F113-R120 WeakPolarHBondContact O-CD 3.34Å; F113-R120 PolarHBondContact O-NE 2.98Å; P114-R120 PolarHBondContact O-NE 2.94Å; P114-R120 PolarHBondContact O-NH2 3.18Å; H116-R120 PolarHBondContact O-N 2.93Å; S117-R120 PolarHBondContact O-N 3.1Å; R120-D122 PolarHBondContact O-N 3.46Å; R120-L124 VanDerWaalsContact O-CB 3.29Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 PolarHBondContact O-N 2.87Å
121	A	84.9	Confident	86.4	Confident	43 Å²	43	74 Å²	74	36%	0.355	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-39.3	179.6	0	0	0	0	0	113.1	S117 H118 Y119 R125	S117-A121 WeakPolarHBondContact O-CB 3.45Å; S117-A121 PolarHBondContact O-N 2.86Å; H118-A121 PolarHBondContact O-N 2.77Å; Y119-A121 VanDerWaalsContact C-N 3.34Å; Y119-A121 PolarHBondContact O-N 3.41Å; A121-R125 WeakPolarHBondContact O-CG 3.33Å; A121-R125 PolarHBondContact O-N 2.85Å
122	D	89.4	Confident	86.3	Confident	66 Å²	66	77.4 Å²	77.4	35%	0.353	37%	0.368	S	S	.	.	H	α-helix	trans	-73.5	-46.6	177.7	-161.4	61.1	0	0	0	112.7	H118 Y119 R120 L124 R125 V126	H118-D122 PolarHBondContact O-N 3.03Å; Y119-D122 PolarHBondContact O-N 2.8Å; R120-D122 PolarHBondContact O-N 3.46Å; D122-L124 PolarHBondContact O-N 2.91Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.26Å; D122-R125 VanDerWaalsContact O-N 3.09Å; D122-R125 IonicContact OD1-CZ 2.83Å; D122-R125 IonicContact OD1-NE 3.15Å; D122-R125 PolarHBondContact OD1-NE 3.48Å; D122-R125 IonicContact OD1-NH2 2.79Å; D122-R125 PolarHBondContact OD1-NH2 3.29Å; D122-V126 PolarHBondContact O-N 3.03Å
123	A	87.9	Confident	85.7	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-54.5	-41.1	174.3	0	0	0	0	0	111.7	L109 Y119 V126 W127	L109-A123 HydrophobicContact CD1-CB 3.93Å; L109-A123 HydrophobicContact CD2-CB 4.09Å; Y119-A123 WeakPolarHBondContact O-CB 3.29Å; Y119-A123 PolarHBondContact O-N 2.93Å; A123-V126 PolarHBondContact O-N 3.02Å; A123-W127 VanDerWaalsContact O-CD1 3.29Å; A123-W127 PolarHBondContact O-N 2.87Å
124	L	90.9	Very high	84.6	Confident	25 Å²	25	83.1 Å²	83.1	13%	0.131	42%	0.417	C	S	.	.	H	α-helix	trans	-64.2	-41.1	177.8	-169.4	63	0	0	0	112.6	L102 Q106 L109 R120 D122 V126 W127 E128	L102-L124 HydrophobicContact CD1-CD1 3.6Å; L102-L124 HydrophobicContact CD1-CG 4.35Å; L102-L124 HydrophobicContact CG-CD1 4.14Å; Q106-L124 HydrophobicContact CB-CD1 3.91Å; Q106-L124 HydrophobicContact CB-CD2 4.15Å; Q106-L124 HydrophobicContact CG-CD2 4.09Å; L109-L124 HydrophobicContact CD1-CB 4.3Å; L109-L124 HydrophobicContact CD1-CD1 4.45Å; R120-L124 VanDerWaalsContact O-CB 3.29Å; R120-L124 WeakPolarHBondContact O-CB 3.46Å; R120-L124 PolarHBondContact O-N 2.87Å; D122-L124 PolarHBondContact O-N 2.91Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 3.13Å; L124-W127 CarbonylContact O-C 3.6Å; L124-W127 WeakPolarHBondContact O-CA 3.44Å; L124-W127 WeakPolarHBondContact O-CB 3.45Å; L124-W127 PolarHBondContact O-N 3.25Å; L124-W127 VanDerWaalsContact O-N 3.11Å; L124-E128 PolarHBondContact O-N 2.66Å
125	R	91.1	Very high	83.7	Confident	138 Å²	138	85.5 Å²	85.5	52%	0.521	43%	0.433	S	S	.	.	H	α-helix	trans	-59.8	-37.3	173.9	-72.3	-175.5	-67.9	-117.6	7.4	112.7	A121 D122 E128 K129	A121-R125 WeakPolarHBondContact O-CG 3.33Å; A121-R125 PolarHBondContact O-N 2.85Å; D122-R125 WeakPolarHBondContact O-CB 3.47Å; D122-R125 PolarHBondContact O-N 3.26Å; D122-R125 VanDerWaalsContact O-N 3.09Å; D122-R125 IonicContact OD1-CZ 2.83Å; D122-R125 IonicContact OD1-NE 3.15Å; D122-R125 PolarHBondContact OD1-NE 3.48Å; D122-R125 IonicContact OD1-NH2 2.79Å; D122-R125 PolarHBondContact OD1-NH2 3.29Å; R125-E128 PolarHBondContact O-N 2.91Å; R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.11Å
126	V	91.9	Very high	82.4	Confident	55 Å²	55	83.8 Å²	83.8	33%	0.333	43%	0.429	S	S	.	.	H	α-helix	trans	-67.6	-40.4	175.3	-175.4	0	0	0	0	110.7	H75 A76 D122 A123 L124 K129 K130	H75-V126 VanDerWaalsContact O-CG1 3.29Å; H75-V126 WeakPolarHBondContact O-CG1 3.49Å; A76-V126 HydrophobicContact CB-CG1 4.19Å; D122-V126 PolarHBondContact O-N 3.03Å; A123-V126 PolarHBondContact O-N 3.02Å; L124-V126 VanDerWaalsContact C-N 3.29Å; L124-V126 PolarHBondContact O-N 3.13Å; V126-K129 PolarHBondContact O-N 2.86Å; V126-K130 PolarHBondContact O-N 3.17Å
127	W	92.4	Very high	80.8	Confident	3 Å²	3	88 Å²	88	1%	0.011	45%	0.445	C	S	.	.	H	α-helix	trans	-65.3	-41.3	173	-83.1	103.7	0	0	0	113.3	Y72 T74 A76 L93 L95 P100 L102 V105 A123 L124 K129 K130 L131	Y72-W127 AromaticContact CD1-CH2 3.91Å; Y72-W127 HydrophobicContact CD1-CH2 3.91Å; Y72-W127 HydrophobicContact CD1-CZ2 4.48Å; Y72-W127 AromaticContact CD2-CH2 3.96Å; Y72-W127 HydrophobicContact CD2-CH2 3.96Å; Y72-W127 AromaticContact CG-CH2 3.59Å; Y72-W127 HydrophobicContact CG-CH2 3.59Å; Y72-W127 HydrophobicContact CG-CZ2 4.06Å; T74-W127 PolarHBondContact O-NE1 3.33Å; A76-W127 HydrophobicContact CB-CD2 3.47Å; A76-W127 VanDerWaalsContact CB-CD2 3.47Å; A76-W127 VanDerWaalsContact CB-CE2 3.41Å; A76-W127 HydrophobicContact CB-CE3 3.95Å; A76-W127 HydrophobicContact CB-CG 3.81Å; A76-W127 HydrophobicContact CB-CH2 4.3Å; A76-W127 HydrophobicContact CB-CZ2 3.86Å; A76-W127 HydrophobicContact CB-CZ3 4.34Å; L93-W127 HydrophobicContact CB-CZ2 4.33Å; L93-W127 HydrophobicContact CD2-CZ2 3.97Å; L95-W127 HydrophobicContact CD1-CH2 3.76Å; L95-W127 HydrophobicContact CD1-CZ3 4.05Å; P100-W127 HydrophobicContact CG-CZ3 4.29Å; L102-W127 HydrophobicContact CD1-CB 4.45Å; V105-W127 HydrophobicContact CG1-CB 3.97Å; V105-W127 HydrophobicContact CG1-CD2 3.64Å; V105-W127 HydrophobicContact CG1-CE3 4.28Å; V105-W127 HydrophobicContact CG1-CG 3.48Å; V105-W127 VanDerWaalsContact CG1-CG 3.48Å; V105-W127 HydrophobicContact CG2-CD2 4.42Å; V105-W127 HydrophobicContact CG2-CE3 4.25Å; A123-W127 VanDerWaalsContact O-CD1 3.29Å; A123-W127 PolarHBondContact O-N 2.87Å; L124-W127 CarbonylContact O-C 3.6Å; L124-W127 WeakPolarHBondContact O-CA 3.44Å; L124-W127 WeakPolarHBondContact O-CB 3.45Å; L124-W127 PolarHBondContact O-N 3.25Å; L124-W127 VanDerWaalsContact O-N 3.11Å; W127-K129 VanDerWaalsContact C-N 3.33Å; W127-K129 PolarHBondContact O-N 3.23Å; W127-K130 CarbonylContact O-C 3.56Å; W127-K130 PolarHBondContact O-N 3.19Å; W127-K130 VanDerWaalsContact O-N 3.15Å; W127-L131 HydrophobicContact CE3-CD1 3.99Å; W127-L131 HydrophobicContact CE3-CD2 4.36Å; W127-L131 HydrophobicContact CE3-CG 4.06Å; W127-L131 VanDerWaalsContact O-CB 3.27Å; W127-L131 WeakPolarHBondContact O-CB 3.44Å; W127-L131 VanDerWaalsContact O-CG 3.27Å; W127-L131 WeakPolarHBondContact O-CG 3.31Å; W127-L131 PolarHBondContact O-N 3.08Å
128	E	91.4	Very high	79.1	Confident	72 Å²	72	88.6 Å²	88.6	34%	0.336	46%	0.455	S	S	.	.	H	α-helix	trans	-54.7	-49	171.8	-74.5	178.2	-171.5	0	0	111.7	L102 L124 R125 K130 L131 R132	L102-E128 HydrophobicContact CD1-CG 3.75Å; L102-E128 HydrophobicContact CD2-CG 3.7Å; L102-E128 HydrophobicContact CG-CG 4.39Å; L124-E128 PolarHBondContact O-N 2.66Å; R125-E128 PolarHBondContact O-N 2.91Å; E128-K130 VanDerWaalsContact C-N 3.25Å; E128-K130 PolarHBondContact O-N 2.82Å; E128-L131 PolarHBondContact O-N 3.07Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 3.44Å; E128-R132 IonicContact OE2-NH2 3.82Å
129	K	89.7	Confident	77.4	Confident	167 Å²	167	84.7 Å²	84.7	73%	0.726	45%	0.452	S	S	*	.	H	α-helix	trans	-61.7	-35	179.2	-171.3	175.3	179.8	178.5	0	111.8	R125 V126 W127	R125-K129 PolarHBondContact O-N 2.84Å; R125-K129 VanDerWaalsContact O-N 3.11Å; V126-K129 PolarHBondContact O-N 2.86Å; W127-K129 VanDerWaalsContact C-N 3.33Å; W127-K129 PolarHBondContact O-N 3.23Å
130	K	87.9	Confident	75.7	Confident	89 Å²	89	90 Å²	90	39%	0.387	48%	0.477	S	S	.	.	H	α-helix	trans	-78.6	-27.2	176.1	-169	167.7	-172	154.5	0	113.9	A76 V126 W127 E128	A76-K130 HydrophobicContact CB-CD 3.77Å; A76-K130 WeakPolarHBondContact O-CD 3.26Å; A76-K130 PolarHBondContact O-NZ 2.94Å; V126-K130 PolarHBondContact O-N 3.17Å; W127-K130 CarbonylContact O-C 3.56Å; W127-K130 PolarHBondContact O-N 3.19Å; W127-K130 VanDerWaalsContact O-N 3.15Å; E128-K130 VanDerWaalsContact C-N 3.25Å; E128-K130 PolarHBondContact O-N 2.82Å
131	L	87	Confident	73.5	Confident	31 Å²	31	91.9 Å²	91.9	16%	0.162	50%	0.502	C	S	.	.	H	α-helix	trans	-97.5	-6.8	-176.3	-65.8	179.4	0	0	0	114.3	R99 P100 L102 V105 W127 E128	R99-L131 HydrophobicContact CG-CD2 4.32Å; R99-L131 VanDerWaalsContact NH2-C 3.32Å; R99-L131 PolarHBondContact NH2-O 2.8Å; P100-L131 HydrophobicContact CG-CD1 4.08Å; P100-L131 HydrophobicContact CG-CD2 3.68Å; L102-L131 HydrophobicContact CD1-CD1 4.38Å; V105-L131 HydrophobicContact CG2-CD1 4.25Å; W127-L131 HydrophobicContact CE3-CD1 3.99Å; W127-L131 HydrophobicContact CE3-CD2 4.36Å; W127-L131 HydrophobicContact CE3-CG 4.06Å; W127-L131 VanDerWaalsContact O-CB 3.27Å; W127-L131 WeakPolarHBondContact O-CB 3.44Å; W127-L131 VanDerWaalsContact O-CG 3.27Å; W127-L131 WeakPolarHBondContact O-CG 3.31Å; W127-L131 PolarHBondContact O-N 3.08Å; E128-L131 PolarHBondContact O-N 3.07Å
132	R	83.9	Confident	71.3	Confident	155 Å²	155	97.1 Å²	97.1	59%	0.585	53%	0.525	S	S	*	.	S	Bend	trans	-54.6	145.3	161.8	-77	168.1	-141.5	-155.2	0.7	111.1	R99 E128	R99-R132 VanDerWaalsContact NH2-C 3.34Å; R99-R132 PolarHBondContact NH2-O 3.04Å; E128-R132 WeakPolarHBondContact O-CG 3.2Å; E128-R132 PolarHBondContact O-N 3.44Å; E128-R132 IonicContact OE2-NH2 3.82Å
133	P	70.3	Confident	69.1	Low	99 Å²	99	99.7 Å²	99.7	64%	0.643	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54.6	153.2	161.3	-22	34	0	0	0	110.4
134	A	63.3	Low	66.5	Low	79 Å²	79	102.5 Å²	102.5	65%	0.653	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-64.9	142.6	157.1	0	0	0	0	0	107.4	D136	A134-D136 PolarHBondContact O-N 3.07Å
135	P	61.8	Low	63.8	Low	124 Å²	124	112.5 Å²	112.5	81%	0.805	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.9	173.2	25.8	-33.4	0	0	0	108.9	K137	P135-K137 PolarHBondContact O-N 2.9Å
136	D	48.5	Very low	60.9	Low	125 Å²	125	111 Å²	111	67%	0.668	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-61.4	127	-172.2	-80.4	-57.9	0	0	0	111.5	A134 A138 A139	A134-D136 PolarHBondContact O-N 3.07Å; D136-A138 HydrophobicContact CB-CB 4.45Å; D136-A138 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact O-N 2.85Å
137	K	50.3	Low	58.2	Low	203 Å²	203	117.2 Å²	117.2	88%	0.883	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-64.1	-9.6	173.8	-70.8	-169.8	174	-172.2	0	113	P135 A139	P135-K137 PolarHBondContact O-N 2.9Å; K137-A139 VanDerWaalsContact C-N 3.29Å
138	A	46.8	Very low	55.3	Low	85 Å²	85	125.6 Å²	125.6	70%	0.702	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-71.9	-16.5	170.5	0	0	0	0	0	113.8	D136 K140	D136-A138 HydrophobicContact CB-CB 4.45Å; D136-A138 PolarHBondContact O-N 2.85Å; A138-K140 PolarHBondContact O-N 2.87Å
139	A	44.8	Very low	52.4	Low	89 Å²	89	127.8 Å²	127.8	74%	0.736	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-86	16.1	176.2	0	0	0	0	0	114	D136 K137	D136-A139 PolarHBondContact O-N 2.85Å; K137-A139 VanDerWaalsContact C-N 3.29Å
140	K	47	Very low	49.6	Very low	195 Å²	195	128.4 Å²	128.4	85%	0.848	71%	0.714	S	S	*	*	S	Bend	trans	-127.5	54.3	169.9	-79.8	-157.4	168.8	-160.1	0	110.8	A138	A138-K140 PolarHBondContact O-N 2.87Å
141	A	43.5	Very low	47	Very low	86 Å²	86	131 Å²	131	71%	0.711	73%	0.732	S	S	*	*	S	Bend	trans	-141.5	20.8	179.6	0	0	0	0	0	113.7
142	D	37.9	Very low	44.4	Very low	154 Å²	154	135.7 Å²	135.7	82%	0.824	76%	0.762	S	S	*	*			trans	-147.5	85.9	160.5	-155.4	-3.8	0	0	0	112
143	S	42.9	Very low	41.8	Very low	120 Å²	120	131.7 Å²	131.7	84%	0.839	77%	0.769	S	S	*	*			trans	-159.8	61.4	161.9	-10.5	0	0	0	0	105.9
144	G	34.1	Very low	39.9	Very low	59 Å²	59	136.7 Å²	136.7	61%	0.608	78%	0.781	S	S	*	*			trans	-79.1	154.9	-177.3	0	0	0	0	0	112.8
145	Y	32.6	Very low	38.2	Very low	235 Å²	235	138.3 Å²	138.3	92%	0.922	78%	0.782	S	S	*	*			trans	67.8	147	176.3	-74.7	-96.7	0	0	0	116.4
146	S	30.1	Very low	36.6	Very low	106 Å²	106	140.1 Å²	140.1	74%	0.741	78%	0.78	S	S	*	*			cis	-136.1	151.3	9.2	34.8	0	0	0	0	112.6
147	E	36.7	Very low	35.5	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	79%	0.788	S	S	*	*			trans	-88.5	131	148.3	-68	179.6	111.5	0	0	107.4
148	E	30	Very low	34.4	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	78%	0.777	S	S	*	*				-177.8	149.7	115.7	-98.4	-176.2	172	0	0	112.8
149	T	31.6	Very low	33.4	Very low	119 Å²	119	139.9 Å²	139.9	73%	0.73	78%	0.777	S	S	*	*			trans	38.3	125.3	158.4	44.5	0	0	0	0	124.4
150	E	31.3	Very low	32.6	Very low	180 Å²	180	144.7 Å²	144.7	84%	0.841	78%	0.776	S	S	*	*			trans	61.7	98.8	134.6	-57.7	-162.2	162	0	0	123
151	N	33.7	Very low	31.6	Very low	143 Å²	143	142.1 Å²	142.1	77%	0.765	77%	0.771	S	S	*	*				62.3	140.3	114.6	-155.9	16.9	0	0	0	122.2
152	T	31.7	Very low	30.8	Very low	129 Å²	129	141.4 Å²	141.4	79%	0.791	77%	0.766	S	S	*	*			trans	74.1	150.4	168.9	78.2	0	0	0	0	119.2
153	G	29.3	Very low	30.4	Very low	72 Å²	72	142.4 Å²	142.4	74%	0.742	77%	0.765	S	S	*	*			trans	97.1	68.6	138.3	0	0	0	0	0	121
154	K	29.6	Very low	29.7	Very low	204 Å²	204	143 Å²	143	89%	0.887	76%	0.764	S	S	*	*			trans	16.5	136.5	138.8	-90.7	-174.7	175.7	-177.7	0	121.3
155	V	27.8	Very low	29.5	Very low	112 Å²	112	146.8 Å²	146.8	68%	0.679	77%	0.766	S	S	*	*			trans	95.1	112.4	137.7	170	0	0	0	0	120.5
156	Q	27.7	Very low	29.3	Very low	163 Å²	163	141.6 Å²	141.6	76%	0.762	76%	0.758	S	S	*	*			trans	50.7	137	141.3	-61.3	176.1	-85.8	0	0	124.5
157	E	26.2	Very low	29.3	Very low	177 Å²	177	143.7 Å²	143.7	83%	0.827	75%	0.754	S	S	*	*				118.1	137.5	124.1	-113.7	176.2	-163.2	0	0	122.3
158	A	26.9	Very low	28.9	Very low	79 Å²	79	141 Å²	141	65%	0.653	75%	0.746	S	S	*	*			trans	66.8	107.8	147.2	0	0	0	0	0	124.6
159	Q	26.2	Very low	29	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	74%	0.738	S	S	*	*				78.9	133.4	119.6	-73.1	-169.9	10.1	0	0	124.9
160	R	27.3	Very low	29	Very low	191 Å²	191	138.6 Å²	138.6	72%	0.721	73%	0.733	S	S	*	*			trans	85.2	125.7	136.9	-78.8	-179.8	171.3	136.4	-9.2	123
161	D	26.3	Very low	28.8	Very low	140 Å²	140	136.8 Å²	136.8	75%	0.749	73%	0.729	S	S	*	*				64.5	147.6	125.1	-54.9	-15.1	0	0	0	121.6
162	A	27.8	Very low	28.6	Very low	72 Å²	72	133.2 Å²	133.2	60%	0.595	72%	0.719	S	S	*	*			cis	-168.7	164.2	-16.3	0	0	0	0	0	112.6
163	H	29.5	Very low	28.4	Very low	175 Å²	175	135.2 Å²	135.2	81%	0.81	72%	0.719	S	S	*	*			trans	63.8	156.5	163.3	-62.7	-53.2	0	0	0	117.8
164	T	27.9	Very low	28.3	Very low	132 Å²	132	137.5 Å²	137.5	81%	0.81	72%	0.719	S	S	*	*			cis	-143.7	168.4	28.6	-51.9	0	0	0	0	113.2
165	Q	29.6	Very low	28.1	Very low	139 Å²	139	132 Å²	132	65%	0.65	71%	0.706	S	S	*	*			trans	-77.5	174.3	-178.6	-50.7	179	-5.8	0	0	112.3
166	V	27.8	Very low	28	Very low	126 Å²	126	134.9 Å²	134.9	76%	0.764	71%	0.712	S	S	*	*				-160.5	117.2	71.7	164.7	0	0	0	0	112.5
167	K	30.4	Very low	27.9	Very low	150 Å²	150	135.6 Å²	135.6	65%	0.652	72%	0.715	S	S	*	*			trans	45.8	127	130.3	-63.5	175.5	-177.9	176.5	0	120.6
168	N	29.4	Very low	27.8	Very low	130 Å²	130	131.6 Å²	131.6	70%	0.695	71%	0.712	S	S	*	*				78.8	146.9	57.5	-64.7	12.8	0	0	0	112.9
169	H	31.7	Very low	27.8	Very low	144 Å²	144	133.6 Å²	133.6	67%	0.667	71%	0.712	S	S	*	*			cis	-153	154	-5	-113.5	-60.2	0	0	0	107
170	T	30.2	Very low	27.8	Very low	102 Å²	102	133.8 Å²	133.8	63%	0.626	71%	0.711	S	S	*	*				42.2	159.7	100.2	79.5	0	0	0	0	116.5
171	D	28.7	Very low	27.8	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	71%	0.711	S	S	*	*			cis	-158.2	-168.9	29.4	-130	-52.7	0	0	0	115.4
172	A	27.7	Very low	28	Very low	68 Å²	68	133 Å²	133	56%	0.562	72%	0.715	S	S	*	*			trans	-62.1	-175.9	178.2	0	0	0	0	0	114.8
173	H	28.7	Very low	27.8	Very low	171 Å²	171	139 Å²	139	79%	0.792	73%	0.73	S	S	*	*			cis	-167.4	144.2	43	-105.3	-58.3	0	0	0	114
174	T	26.4	Very low	27.7	Very low	121 Å²	121	134.4 Å²	134.4	74%	0.742	73%	0.731	S	S	*	*				52.8	138.5	124	-54.4	0	0	0	0	123.4
175	S	25.5	Very low	27.5	Very low	89 Å²	89	136.2 Å²	136.2	62%	0.622	73%	0.73	S	S	*	*			trans	127.4	123.3	135.3	-156.5	0	0	0	0	120
176	Q	26.6	Very low	27.2	Very low	171 Å²	171	139 Å²	139	80%	0.799	74%	0.736	S	S	*	*			trans	71.4	120.4	139.5	-72	171.5	12.8	0	0	126.1
177	H	25.5	Very low	27.3	Very low	179 Å²	179	139.6 Å²	139.6	83%	0.829	73%	0.734	S	S	*	*				48	128.8	129.1	-81.4	-79.9	0	0	0	125.9
178	A	24.8	Very low	27.7	Very low	92 Å²	92	137.8 Å²	137.8	76%	0.76	74%	0.737	S	S	*	*			trans	68.1	153.4	146.6	0	0	0	0	0	117.7
179	D	26.3	Very low	27.4	Very low	122 Å²	122	139 Å²	139	65%	0.652	74%	0.744	S	S	*	*			cis	-162.1	170.9	28.1	-164.7	10.9	0	0	0	113.8
180	K	26.6	Very low	27.2	Very low	155 Å²	155	137.2 Å²	137.2	67%	0.674	75%	0.748	S	S	*	*			trans	63.8	137.3	155.7	-82	170.9	-174.3	88.3	0	123.9
181	N	26.4	Very low	27.1	Very low	136 Å²	136	141.3 Å²	141.3	73%	0.727	76%	0.76	S	S	*	*			trans	71.9	155	146.5	-65.8	-10.4	0	0	0	119
182	Q	29.9	Very low	26.9	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	77%	0.768	S	S	*	*			cis	-143.2	169.7	11.8	-146.6	160.6	46.2	0	0	112.8
183	Q	25.1	Very low	26.8	Very low	196 Å²	196	146.6 Å²	146.6	92%	0.916	78%	0.777	S	S	*	*			trans	-94.6	157	-177.3	-68.3	162.5	-65	0	0	113.5
184	G	26.9	Very low	26.7	Very low	80 Å²	80	146.5 Å²	146.5	83%	0.825	78%	0.782	S	S	*	*			trans	-148.8	138.6	166.5	0	0	0	0	0	111.2
185	Q	23.4	Very low	26.8	Very low	169 Å²	169	150.1 Å²	150.1	79%	0.79	79%	0.787	S	S	*	*			trans	-118.3	-178	-177.4	-71.4	179.6	-71.6	0	0	111.4
186	Y	22.9	Very low	26.9	Very low	198 Å²	198	155.3 Å²	155.3	78%	0.776	80%	0.799	S	S	*	*			trans	72.9	145.5	170.6	-68.2	-98.4	0	0	0	116.7
187	I	29.3	Very low	26.9	Very low	138 Å²	138	154.9 Å²	154.9	71%	0.708	80%	0.802	S	S	*	*			cis	-153.1	157.2	-31.8	-123.8	-167.7	0	0	0	106.3
188	P	40	Very low	26.9	Very low	112 Å²	112	151.1 Å²	151.1	73%	0.727	80%	0.796	S	S	*	*			trans	-88.9	148.3	-177.1	35.1	-32.2	0	0	0	112.8
189	D	23.8	Very low	26.9	Very low	157 Å²	157	152.8 Å²	152.8	84%	0.84	80%	0.8	S	S	*	*			trans	-160.8	156.7	148.2	-138.8	-22.6	0	0	0	116.7
190	S	26.1	Very low	26.9	Very low	106 Å²	106	156.2 Å²	156.2	74%	0.741	81%	0.81	S	S	*	*			trans	75.8	130.6	151.2	79.7	0	0	0	0	121.2
191	Q	27.7	Very low	26.8	Very low	188 Å²	188	158.6 Å²	158.6	88%	0.879	82%	0.82	S	S	*	*			trans	-68.7	152.1	179.9	-53.5	160	-1.4	0	0	113.3
192	K	25.6	Very low	26.6	Very low	212 Å²	212	157 Å²	157	92%	0.922	82%	0.816	S	S	*	*				-156.4	151.9	128.4	-112.9	154.7	-169.6	168.5	0	113
193	S	24.9	Very low	26.4	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	81%	0.81	S	S	*	*			trans	-86.5	152.3	-171.2	51.5	0	0	0	0	112.8
194	N	26.2	Very low	26.7	Very low	168 Å²	168	151.3 Å²	151.3	90%	0.898	80%	0.803	S	S	*	*			trans	-158.6	135.1	142.5	-116.3	-45.9	0	0	0	112.9
195	K	30.3	Very low	26.9	Very low	197 Å²	197	150.5 Å²	150.5	86%	0.857	78%	0.78	S	S	*	*			trans	-77.8	134.3	172.7	-70.8	176.7	177.3	175.1	0	109.5
196	K	26.1	Very low	27.2	Very low	198 Å²	198	145 Å²	145	86%	0.861	76%	0.759	S	S	*	*			trans	-152.8	99.4	156.1	-116.1	168.2	-173.2	174.7	0	111.4	S198	K196-S198 PolarHBondContact O-N 2.76Å
197	N	27.8	Very low	27.8	Very low	162 Å²	162	139.7 Å²	139.7	87%	0.866	74%	0.744	S	S	*	*			trans	-61.7	129.9	170.5	-70.9	-2.7	0	0	0	109.3
198	S	25.3	Very low	28	Very low	101 Å²	101	135.6 Å²	135.6	71%	0.706	72%	0.723	S	S	*	*			trans	-135.5	83.9	170.6	49.5	0	0	0	0	110.1	K196 K200	K196-S198 PolarHBondContact O-N 2.76Å; S198-K200 PolarHBondContact O-N 3.09Å
199	C	24.3	Very low	27.8	Very low	126 Å²	126	131.2 Å²	131.2	85%	0.851	69%	0.694	S	S	*	*			trans	-61.6	105.8	170.8	-65.5	0	0	0	0	109.2	K201	C199-K201 PolarHBondContact O-N 3.34Å
200	K	25.9	Very low	28.6	Very low	195 Å²	195	128.7 Å²	128.7	85%	0.848	68%	0.677	S	S	*	*			trans	-68.2	101.9	174.7	-71.2	178.7	178.8	174.3	0	108.7	S198 T202	S198-K200 PolarHBondContact O-N 3.09Å; K200-T202 PolarHBondContact O-N 2.97Å
201	K	24.3	Very low	28.9	Very low	204 Å²	204	126.5 Å²	126.5	89%	0.887	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-53.7	124.8	173	-70.2	-174.3	175	-175.2	0	109.8	C199	C199-K201 PolarHBondContact O-N 3.34Å
202	T	23.5	Very low	28.9	Very low	104 Å²	104	121.9 Å²	121.9	64%	0.638	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-71.1	138.2	166.5	37.5	0	0	0	0	109.5	K200 H204	K200-T202 PolarHBondContact O-N 2.97Å; T202-H204 PolarHBondContact OG1-NE2 3.22Å
203	A	25.4	Very low	29	Very low	88 Å²	88	119.9 Å²	119.9	73%	0.727	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-96.8	116.4	174.4	0	0	0	0	0	109.1
204	H	31.4	Very low	29.2	Very low	166 Å²	166	121.3 Å²	121.3	77%	0.769	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-94.9	159.9	179.5	-68.9	-92.6	0	0	0	111.5	T202	T202-H204 PolarHBondContact OG1-NE2 3.22Å
205	L	31.1	Very low	29.4	Very low	63 Å²	63	123.3 Å²	123.3	33%	0.33	62%	0.62	S	S	.	*			trans	-122.1	151.6	-171.9	-81.1	77.1	0	0	0	111.5	E56	E56-L205 HydrophobicContact CG-CD2 4.33Å; E56-L205 HydrophobicContact CG-CG 4.32Å; E56-L205 WeakPolarHBondContact O-CD2 3.23Å
206	P	29.6	Very low	29.5	Very low	53 Å²	53	117.1 Å²	117.1	34%	0.344	61%	0.613	S	S	.	*			trans	-81.1	163.5	-178.3	33.9	-38	0	0	0	114.8	E56 N208	E56-P206 HydrophobicContact CG-CG 3.85Å; P206-N208 PolarHBondContact O-N 2.86Å
207	N	35.2	Very low	29.5	Very low	87 Å²	87	117 Å²	117	47%	0.465	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.4	26.3	-160.3	-135.5	16	0	0	0	115.5	N363 F364	N207-N363 HydrophobicContact CB-CB 3.98Å; N207-N363 PolarHBondContact OD1-ND2 3.46Å; N207-F364 HydrophobicContact CB-CD2 4.42Å; N207-F364 HydrophobicContact CB-CE1 3.98Å; N207-F364 HydrophobicContact CB-CE2 3.6Å; N207-F364 HydrophobicContact CB-CZ 3.35Å
208	N	34.5	Very low	29.9	Very low	52 Å²	52	115.7 Å²	115.7	28%	0.278	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	-26.3	-170.8	-69.9	11.6	0	0	0	113.8	D53 P206 R392	D53-N208 WeakPolarHBondContact OD2-CB 3.49Å; D53-N208 PolarHBondContact OD2-ND2 3.11Å; P206-N208 PolarHBondContact O-N 2.86Å; N208-R392 VanDerWaalsContact OD1-CZ 3.26Å; N208-R392 PolarHBondContact OD1-NH1 3.13Å; N208-R392 PolarHBondContact OD1-NH2 3.39Å
209	L	35.3	Very low	29.9	Very low	21 Å²	21	120.6 Å²	120.6	11%	0.11	62%	0.622	C	S	.	*	S	Bend	trans	-138.7	122.2	-173.5	-55.5	-178	0	0	0	107.8	V37 L39 D53 L54 A57 K211	V37-L209 HydrophobicContact CG1-CB 3.61Å; V37-L209 HydrophobicContact CG1-CD1 4.22Å; V37-L209 HydrophobicContact CG1-CD2 3.6Å; V37-L209 HydrophobicContact CG1-CG 3.98Å; L39-L209 HydrophobicContact CD2-CD2 3.54Å; L39-L209 HydrophobicContact CG-CD2 4.21Å; D53-L209 HydrophobicContact CB-CD1 3.71Å; D53-L209 HydrophobicContact CB-CG 4.14Å; D53-L209 WeakPolarHBondContact O-CD1 3.45Å; L54-L209 HydrophobicContact CD2-CD1 3.82Å; L54-L209 HydrophobicContact CG-CD1 4.28Å; A57-L209 HydrophobicContact CB-CB 4.13Å; A57-L209 HydrophobicContact CB-CD1 3.74Å; L209-K211 PolarHBondContact O-N 3.14Å
210	Q	39.2	Very low	30.1	Very low	104 Å²	104	124.2 Å²	124.2	49%	0.486	62%	0.623	S	S	.	*			trans	-68.9	102.5	176	-68.5	-166.4	10.8	0	0	109.6
211	K	33.1	Very low	30.1	Very low	59 Å²	59	126.5 Å²	126.5	26%	0.257	63%	0.626	S	S	.	*			trans	-96.1	113.1	180	-173.9	-159.3	171.9	49	0	111.8	K34 V35 A57 L209 R213	K34-K211 PolarHBondContact O-NZ 2.81Å; V35-K211 HydrophobicContact CB-CG 4.43Å; V35-K211 HydrophobicContact CG2-CB 4.15Å; V35-K211 HydrophobicContact CG2-CG 3.64Å; A57-K211 HydrophobicContact CB-CB 4.48Å; A57-K211 WeakPolarHBondContact O-CD 3.3Å; A57-K211 VanDerWaalsContact O-CE 3.27Å; A57-K211 WeakPolarHBondContact O-CE 3.49Å; A57-K211 WeakPolarHBondContact O-CG 3.36Å; A57-K211 PolarHBondContact O-NZ 3.44Å; L209-K211 PolarHBondContact O-N 3.14Å; K211-R213 HydrophobicContact CD-CG 4.22Å; K211-R213 VanDerWaalsContact CE-CG 3.45Å
212	L	27.2	Very low	30.2	Very low	91 Å²	91	125.5 Å²	125.5	48%	0.476	62%	0.624	S	S	.	*			trans	-75.3	137.6	155.2	-79.5	162.3	0	0	0	111.6	Q557	L212-Q557 HydrophobicContact CD1-CG 4.1Å
213	R	28	Very low	30.4	Very low	170 Å²	170	126.1 Å²	126.1	64%	0.642	63%	0.63	S	S	*	*			trans	-105.5	104.7	165.7	-86.2	-171.6	178.2	171.2	3.3	109.2	K211	K211-R213 HydrophobicContact CD-CG 4.22Å; K211-R213 VanDerWaalsContact CE-CG 3.45Å
214	V	30.4	Very low	30.5	Very low	138 Å²	138	127 Å²	127	84%	0.836	63%	0.631	S	S	*	*			trans	-74.5	134.7	153.7	-177.4	0	0	0	0	107.8
215	R	29	Very low	30.6	Very low	210 Å²	210	125.4 Å²	125.4	79%	0.792	64%	0.635	S	S	*	*			trans	-139.1	91.5	170.6	-122.9	-168.7	178.4	-159	-4.1	108.7	E217	R215-E217 PolarHBondContact O-N 2.84Å
216	G	33.5	Very low	30.7	Very low	68 Å²	68	130.2 Å²	130.2	70%	0.701	66%	0.66	S	S	*	*			trans	-71.2	120.5	159.9	0	0	0	0	0	108.9
217	E	25.4	Very low	30.6	Very low	195 Å²	195	130.3 Å²	130.3	91%	0.911	67%	0.67	S	S	*	*				-172.9	160.1	124.7	-108.6	-175.7	-172.7	0	0	112	R215	R215-E217 PolarHBondContact O-N 2.84Å
218	V	36.5	Very low	30.3	Very low	135 Å²	135	132.3 Å²	132.3	82%	0.818	69%	0.688	S	S	*	*			trans	-96.1	129.8	-164	177.4	0	0	0	0	112.3
219	K	25.9	Very low	30.1	Very low	204 Å²	204	139.7 Å²	139.7	89%	0.887	72%	0.718	S	S	*	*			trans	-155.8	133.2	146.2	-111.8	145.2	-170.5	167.8	0	114.2
220	K	26.7	Very low	29.8	Very low	202 Å²	202	148.1 Å²	148.1	88%	0.878	75%	0.754	S	S	*	*			trans	-10.6	126.5	177.2	-59.1	-176.4	176.9	-173.9	0	118.3
221	R	27.4	Very low	29.3	Very low	243 Å²	243	152.1 Å²	152.1	92%	0.917	77%	0.772	S	S	*	*			trans	-82.7	149.9	165.5	-66.2	177.9	175.4	171.6	-2.4	111.5
222	H	24.9	Very low	28.9	Very low	182 Å²	182	157 Å²	157	84%	0.843	80%	0.801	S	S	*	*			trans	-107.4	154.5	142.5	-84.8	-90.2	0	0	0	108.3
223	P	27.8	Very low	29	Very low	117 Å²	117	160.4 Å²	160.4	76%	0.76	81%	0.814	S	S	*	*			trans	-81.1	159.9	-164.8	31.7	-36.1	0	0	0	114.3
224	S	27.5	Very low	28.9	Very low	108 Å²	108	159.7 Å²	159.7	76%	0.755	82%	0.822	S	S	*	*			trans	-145.7	153.6	163.4	-69.6	0	0	0	0	108.4	I226	S224-I226 PolarHBondContact O-N 2.87Å
225	P	33.6	Very low	28.8	Very low	132 Å²	132	161.5 Å²	161.5	86%	0.857	83%	0.827	S	S	*	*	S	Bend	trans	-92.8	79	-140.3	34.7	-37.6	0	0	0	114.9
226	I	33.1	Very low	28.8	Very low	164 Å²	164	161.9 Å²	161.9	84%	0.841	83%	0.828	S	S	*	*			trans	-127.4	111.5	152.3	-57.2	-179.7	0	0	0	107.1	S224	S224-I226 PolarHBondContact O-N 2.87Å
227	G	28	Very low	28.7	Very low	55 Å²	55	166.7 Å²	166.7	57%	0.567	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-76.4	148.5	-175.7	0	0	0	0	0	112.8	F229	G227-F229 PolarHBondContact O-N 2.62Å
228	P	29.7	Very low	28.9	Very low	129 Å²	129	161.5 Å²	161.5	84%	0.838	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-74.1	120.7	172.8	30.5	-32.3	0	0	0	110	K230	P228-K230 PolarHBondContact O-N 2.86Å
229	F	30.1	Very low	28.7	Very low	206 Å²	206	162.8 Å²	162.8	90%	0.904	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-69.2	127.9	165.9	-81.5	-85.5	0	0	0	109.5	G227	G227-F229 PolarHBondContact O-N 2.62Å
230	K	28.4	Very low	28.9	Very low	199 Å²	199	160.8 Å²	160.8	87%	0.865	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-76.3	130.1	172	-63.2	179.9	179.6	-179.3	0	108.6	P228	P228-K230 PolarHBondContact O-N 2.86Å
231	H	28.5	Very low	29.2	Very low	188 Å²	188	156.5 Å²	156.5	87%	0.87	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-64.4	135.2	151.9	-86.3	-90.6	0	0	0	108.3
232	N	25.9	Very low	29.4	Very low	160 Å²	160	150 Å²	150	86%	0.856	81%	0.813	S	S	*	*			trans	-110.3	105.4	161.1	-164.3	73.4	0	0	0	105.9
233	E	29.6	Very low	29.9	Very low	163 Å²	163	147.5 Å²	147.5	76%	0.762	81%	0.812	S	S	*	*			trans	-71.2	171.3	175.3	-66.6	-176.1	130.4	0	0	111.2
234	L	26.1	Very low	30.2	Very low	155 Å²	155	149.8 Å²	149.8	81%	0.812	82%	0.816	S	S	*	*			trans	89.2	90	176.5	-55.4	168	0	0	0	116.5
235	L	28.2	Very low	30.6	Very low	177 Å²	177	152.4 Å²	152.4	93%	0.927	82%	0.821	S	S	*	*				-137.9	162.1	107.9	-102.6	165.5	0	0	0	108.8
236	R	28.3	Very low	30.5	Very low	218 Å²	218	150.8 Å²	150.8	82%	0.823	81%	0.812	S	S	*	*			trans	-94.1	167	-159.5	-64.7	-178.3	179	179.6	-1	114.1
237	D	32	Very low	30.7	Very low	169 Å²	169	151.6 Å²	151.6	90%	0.904	81%	0.812	S	S	*	*			trans	-48.1	136.1	161.9	-52.2	-81.4	0	0	0	112.2
238	A	28.8	Very low	31.3	Very low	85 Å²	85	156.3 Å²	156.3	70%	0.702	82%	0.824	S	S	*	*			trans	-152.9	141.7	164.4	0	0	0	0	0	108
239	D	32	Very low	31.7	Very low	162 Å²	162	155.2 Å²	155.2	87%	0.866	82%	0.818	S	S	*	*			trans	-66.4	138.9	-166.6	-53.3	-95.6	0	0	0	114
240	I	30.7	Very low	32.1	Very low	162 Å²	162	153.4 Å²	153.4	83%	0.831	82%	0.817	S	S	*	*			trans	-110.5	109	171.2	-58.2	179.5	0	0	0	108.7
241	P	32	Very low	32.2	Very low	113 Å²	113	148.1 Å²	148.1	73%	0.734	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-72.9	154.9	174.9	30.4	-34.3	0	0	0	111.6
242	S	31.8	Very low	32.3	Very low	107 Å²	107	145.5 Å²	145.5	75%	0.748	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-61.2	141	-178.4	-49.2	0	0	0	0	112.7	I244	S242-I244 PolarHBondContact O-N 2.86Å
243	P	36.1	Very low	32.4	Very low	128 Å²	128	147.2 Å²	147.2	83%	0.831	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-67.1	128.9	-178.5	26.7	-34	0	0	0	111.8
244	I	34.1	Very low	32.4	Very low	166 Å²	166	144.6 Å²	144.6	85%	0.851	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.4	136.7	178.3	-63.2	168.3	0	0	0	109.7	S242	S242-I244 PolarHBondContact O-N 2.86Å
245	L	35.7	Very low	32.6	Very low	163 Å²	163	148 Å²	148	85%	0.853	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.1	136	175.3	-68.1	171.5	0	0	0	111
246	C	31.9	Very low	33.2	Very low	98 Å²	98	144.6 Å²	144.6	66%	0.662	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	139.4	177.7	-176.2	0	0	0	0	111.8	N248	C246-N248 PolarHBondContact O-N 3.31Å; C246-N248 VanDerWaalsContact O-N 3.15Å
247	E	37	Very low	33.1	Very low	180 Å²	180	142.3 Å²	142.3	84%	0.841	80%	0.801	S	S	*	*	G	3₁₀ helix	trans	-70.6	-13.7	-164.5	-150.2	162.9	-158.3	0	0	114.6	C249	E247-C249 PolarHBondContact O-N 3.47Å; E247-C249 VanDerWaalsContact O-N 3.08Å
248	N	40.7	Very low	32.9	Very low	154 Å²	154	138.4 Å²	138.4	82%	0.824	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-77.6	15.8	-176.9	-72.6	-24.1	0	0	0	115.5	C246	C246-N248 PolarHBondContact O-N 3.31Å; C246-N248 VanDerWaalsContact O-N 3.15Å
249	C	38.5	Very low	33.4	Very low	107 Å²	107	140.2 Å²	140.2	72%	0.723	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-119.7	12.3	-176.3	-71.2	0	0	0	0	115	E247	E247-C249 PolarHBondContact O-N 3.47Å; E247-C249 VanDerWaalsContact O-N 3.08Å
250	L	37.6	Very low	33.1	Very low	168 Å²	168	135.9 Å²	135.9	88%	0.88	79%	0.79	S	S	*	*			trans	-115.7	35.6	-174.9	-69.5	177.5	0	0	0	115.5
251	A	30.5	Very low	33.1	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	80%	0.795	S	S	*	*			trans	-138.7	137.2	156.4	0	0	0	0	0	108
252	T	30.4	Very low	33	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	80%	0.798	S	S	*	*			cis	-142.2	149.6	17	-59.1	0	0	0	0	110.4
253	K	29.2	Very low	32.7	Very low	196 Å²	196	137.3 Å²	137.3	85%	0.852	80%	0.801	S	S	*	*			trans	-134	135	170.4	-102	-175.7	177.9	175.8	0	112.4
254	S	28.9	Very low	32.4	Very low	107 Å²	107	137 Å²	137	75%	0.748	80%	0.797	S	S	*	*			trans	70.1	155.9	172.4	87.2	0	0	0	0	114.9
255	R	30.2	Very low	32.1	Very low	228 Å²	228	137.7 Å²	137.7	86%	0.86	80%	0.802	S	S	*	*			cis	-150	-162.3	7.3	-142.6	167.1	-178.7	-173.2	0.2	110.2
256	P	40.4	Very low	31.8	Very low	104 Å²	104	135.8 Å²	135.8	68%	0.675	80%	0.802	S	S	*	*				-127.2	-164.4	-104.4	47.3	-32.7	0	0	0	116.9
257	L	27.8	Very low	31.6	Very low	170 Å²	170	134.8 Å²	134.8	89%	0.89	81%	0.809	S	S	*	*			trans	101	153.9	161.8	-105.6	75.3	0	0	0	118.9
258	A	25.8	Very low	31.1	Very low	88 Å²	88	137.4 Å²	137.4	73%	0.727	81%	0.811	S	S	*	*			trans	-124.3	-165.7	-160.5	0	0	0	0	0	109.6
259	P	40.4	Very low	30.5	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	81%	0.811	S	S	*	*			cis	-141.7	159.1	3.3	40.9	-21.5	0	0	0	119
260	G	26.2	Very low	30.3	Very low	70 Å²	70	136.8 Å²	136.8	72%	0.722	81%	0.811	S	S	*	*			trans	88.5	123.9	131.4	0	0	0	0	0	121.2
261	L	29.3	Very low	29.9	Very low	179 Å²	179	136.6 Å²	136.6	94%	0.937	81%	0.81	S	S	*	*				-153.8	178.7	116.1	-135.9	95.6	0	0	0	111
262	I	29.6	Very low	29.9	Very low	154 Å²	154	137.8 Å²	137.8	79%	0.79	81%	0.81	S	S	*	*			trans	-110.6	145.7	-162.5	-64.2	164.2	0	0	0	111.8
263	G	27.3	Very low	30.1	Very low	79 Å²	79	137.3 Å²	137.3	81%	0.814	81%	0.809	S	S	*	*			trans	-159.8	57.9	179.2	0	0	0	0	0	114.5
264	T	30	Very low	30	Very low	123 Å²	123	134.2 Å²	134.2	76%	0.755	81%	0.807	S	S	*	*			trans	-85.9	126.1	176.5	47.7	0	0	0	0	112.8
265	L	27.2	Very low	29.9	Very low	179 Å²	179	134.7 Å²	134.7	94%	0.937	81%	0.81	S	S	*	*			trans	-141	126.3	146.8	-88.2	-176.7	0	0	0	110.9
266	S	29.6	Very low	29.8	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	81%	0.808	S	S	*	*			trans	-109	136.8	167.5	-172.5	0	0	0	0	108.2
267	G	26.1	Very low	29.3	Very low	78 Å²	78	137.1 Å²	137.1	80%	0.804	82%	0.816	S	S	*	*			trans	-149	96.7	-175.5	0	0	0	0	0	112.6
268	R	27.6	Very low	29.2	Very low	235 Å²	235	138.6 Å²	138.6	89%	0.887	82%	0.818	S	S	*	*			trans	-94.7	-178.6	160	-84.2	-175	167.1	-168.4	-2.5	109.4
269	V	27.6	Very low	29.2	Very low	135 Å²	135	144.5 Å²	144.5	82%	0.818	83%	0.828	S	S	*	*			trans	84.1	145.1	162.9	-173.9	0	0	0	0	113.6
270	P	34.3	Very low	28.4	Very low	113 Å²	113	142.3 Å²	142.3	73%	0.734	83%	0.828	S	S	*	*			cis	-118.8	169.8	-2.7	20	2.7	0	0	0	116
271	L	28.6	Very low	28.3	Very low	164 Å²	164	144.3 Å²	144.3	86%	0.859	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-103.8	149.5	147.3	-77.2	169.8	0	0	0	108.9
272	P	31.8	Very low	28.2	Very low	113 Å²	113	143.6 Å²	143.6	73%	0.734	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.6	157.2	178.6	30.2	-34.8	0	0	0	113
273	P	34.4	Very low	28	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-86.5	150.5	-165.1	33.5	-36.5	0	0	0	115.1
274	V	26.5	Very low	27.9	Very low	132 Å²	132	144.7 Å²	144.7	80%	0.8	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-101.2	117.7	169.9	176.1	0	0	0	0	110.2
275	S	27.8	Very low	27.7	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.4	125.5	176.2	-65.7	0	0	0	0	112.6
276	K	28.5	Very low	27.6	Very low	190 Å²	190	145.3 Å²	145.3	83%	0.826	80%	0.803	S	S	*	*			trans	-108.9	158.7	156.3	-50.2	176.9	-178.5	173.9	0	105.3
277	K	28.1	Very low	27.5	Very low	194 Å²	194	148.1 Å²	148.1	84%	0.843	80%	0.802	S	S	*	*			cis	-174.5	147.8	22.9	-168.2	-176.4	-176.1	-177.6	0	107.4
278	Q	25.9	Very low	27.5	Very low	201 Å²	201	151.3 Å²	151.3	94%	0.939	81%	0.806	S	S	*	*			trans	-172.2	-176.3	140.4	-107.2	173.9	29.2	0	0	112.8
279	K	25.6	Very low	27.4	Very low	212 Å²	212	149.2 Å²	149.2	92%	0.922	80%	0.803	S	S	*	*			trans	-151.8	140.7	-153.8	178.8	-172.3	177.1	-171.1	0	112.4
280	G	25.1	Very low	28.3	Very low	77 Å²	77	148 Å²	148	79%	0.794	80%	0.798	S	S	*	*			trans	102.8	152.1	-179.7	0	0	0	0	0	111.9
281	S	23.6	Very low	27.8	Very low	112 Å²	112	148.3 Å²	148.3	78%	0.783	80%	0.803	S	S	*	*			cis	-151.2	174.6	3.4	-168.2	0	0	0	0	110.8
282	H	26.9	Very low	27.6	Very low	163 Å²	163	147.8 Å²	147.8	76%	0.755	80%	0.801	S	S	*	*			trans	-39.4	151.6	176.4	-57.2	-111.5	0	0	0	114.7
283	H	26	Very low	27.4	Very low	158 Å²	158	149.3 Å²	149.3	73%	0.731	81%	0.808	S	S	*	*				-172	151.1	60.3	-130.7	-82.1	0	0	0	114.9
284	T	24.8	Very low	26.9	Very low	98 Å²	98	147.8 Å²	147.8	60%	0.601	80%	0.8	S	S	*	*			trans	37.1	124.5	149.5	43.3	0	0	0	0	125
285	D	25.4	Very low	26.8	Very low	135 Å²	135	148.7 Å²	148.7	72%	0.722	80%	0.801	S	S	*	*				89.8	141.5	119.4	-66.5	8.5	0	0	0	126.4
286	Q	25.3	Very low	26.8	Very low	181 Å²	181	148.5 Å²	148.5	85%	0.846	80%	0.799	S	S	*	*			trans	86	126.8	148	-82.3	169.2	52.8	0	0	123.3
287	E	27.3	Very low	27.5	Very low	181 Å²	181	145.1 Å²	145.1	85%	0.846	80%	0.796	S	S	*	*			trans	-55.8	160	157.9	-64.6	165.7	78.8	0	0	112.8
288	V	26.3	Very low	27.4	Very low	145 Å²	145	141 Å²	141	88%	0.879	79%	0.792	S	S	*	*				-175.3	152.6	119.5	141.6	0	0	0	0	111.7
289	K	24.6	Very low	27.4	Very low	192 Å²	192	136.7 Å²	136.7	84%	0.835	78%	0.784	S	S	*	*			trans	-147.5	166.9	170.1	-128.5	-163.3	179.6	-175.4	0	106.4
290	P	47.6	Very low	28.4	Very low	110 Å²	110	131.6 Å²	131.6	71%	0.714	77%	0.773	S	S	*	*			cis	-126.1	-176	-27.1	41.4	-27.8	0	0	0	111.7
291	S	22.7	Very low	28.5	Very low	118 Å²	118	135.7 Å²	135.7	83%	0.825	77%	0.771	S	S	*	*			trans	-167.3	147.7	146.9	52	0	0	0	0	113.5
292	D	25.7	Very low	28.9	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	77%	0.767	S	S	*	*			trans	-91.9	169.1	173	-55.1	-88.7	0	0	0	112.5
293	V	26.7	Very low	29.1	Very low	146 Å²	146	132.7 Å²	132.7	89%	0.885	76%	0.764	S	S	*	*				168.7	150.6	123.6	155	0	0	0	0	110.7
294	S	24.6	Very low	29.4	Very low	89 Å²	89	135.2 Å²	135.2	62%	0.622	77%	0.767	S	S	*	*			trans	-98.6	162.3	-174.5	57.6	0	0	0	0	114.6
295	N	24.1	Very low	29.8	Very low	152 Å²	152	135.2 Å²	135.2	81%	0.813	76%	0.763	S	S	*	*				177.2	152.2	112.2	-86.4	-17	0	0	0	115.3
296	S	27.1	Very low	30.1	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	76%	0.757	S	S	*	*			trans	-82.4	-167.7	165.2	-22.7	0	0	0	0	110.5
297	P	44.6	Very low	30.3	Very low	119 Å²	119	132.9 Å²	132.9	77%	0.773	75%	0.746	S	S	*	*			cis	-122.4	-160.9	2.3	39.9	-19	0	0	0	111.9
298	S	25.6	Very low	30.3	Very low	109 Å²	109	131.8 Å²	131.8	76%	0.762	74%	0.738	S	S	*	*			cis	-164.3	172	24.2	47.8	0	0	0	0	114.6
299	S	25.8	Very low	30.2	Very low	109 Å²	109	129.9 Å²	129.9	76%	0.762	73%	0.732	S	S	*	*			trans	-82.2	-156.6	179.5	-23.4	0	0	0	0	113
300	P	46.2	Very low	30.2	Very low	106 Å²	106	126.7 Å²	126.7	69%	0.688	73%	0.732	S	S	*	*			cis	-140.8	-180	5.4	43.3	-24	0	0	0	117.8
301	Q	27.7	Very low	29.3	Very low	162 Å²	162	125.6 Å²	125.6	76%	0.757	73%	0.732	S	S	*	*				176.2	115.7	124.2	-85.4	-92.6	-34.9	0	0	108.2
302	V	31.6	Very low	30.3	Very low	115 Å²	115	125.1 Å²	125.1	70%	0.697	73%	0.726	S	S	*	*				69.6	120.5	79.2	169.3	0	0	0	0	111.2
303	S	30.8	Very low	30.2	Very low	98 Å²	98	124.7 Å²	124.7	69%	0.685	72%	0.723	S	S	*	*			cis	-139.6	-159.5	1.1	54.3	0	0	0	0	109
304	R	32.3	Very low	30.2	Very low	210 Å²	210	125.8 Å²	125.8	79%	0.792	72%	0.718	S	S	*	*			cis	-166.6	-176.3	14.2	-131.8	-166.6	176.2	113.1	6.7	105.5
305	D	33.4	Very low	30.2	Very low	99 Å²	99	128.5 Å²	128.5	53%	0.529	73%	0.725	S	S	.	*			cis	-166.1	158.7	-21.2	-128.6	-9.3	0	0	0	102.8
306	K	31.3	Very low	30.2	Very low	136 Å²	136	129.3 Å²	129.3	59%	0.591	73%	0.729	S	S	*	*			cis	-167.3	132.9	3.4	-151.7	174.5	-153	72	0	111.7
307	E	31.4	Very low	30.3	Very low	131 Å²	131	135.3 Å²	135.3	61%	0.612	73%	0.734	S	S	*	*			trans	52.7	154.4	137.8	-67.4	-174.3	126.4	0	0	123.8
308	K	26.9	Very low	29.5	Very low	157 Å²	157	135.5 Å²	135.5	68%	0.683	74%	0.736	S	S	*	*			cis	-155.5	140.6	17.7	-135.9	148.1	-174.9	138.7	0	114.4
309	S	24.5	Very low	29.6	Very low	106 Å²	106	134.7 Å²	134.7	74%	0.741	74%	0.736	S	S	*	*				57.3	137.5	130	-176.2	0	0	0	0	121.5
310	C	23	Very low	30.5	Very low	125 Å²	125	134.5 Å²	134.5	85%	0.845	73%	0.732	S	S	*	*			cis	-162.2	173.8	-7.3	-116	0	0	0	0	112.3
311	A	28.6	Very low	29.6	Very low	86 Å²	86	138.7 Å²	138.7	71%	0.711	74%	0.742	S	S	*	*			trans	-111.8	-145.8	168	0	0	0	0	0	108.8
312	P	44.3	Very low	29.7	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	75%	0.746	S	S	*	*			cis	-143	-161.1	-8.8	26.8	1.9	0	0	0	115.5
313	L	23.8	Very low	29.5	Very low	145 Å²	145	134.9 Å²	134.9	76%	0.759	75%	0.75	S	S	*	*			trans	96.8	104.3	151.1	-56.9	-178.4	0	0	0	122.7
314	Q	26.7	Very low	29.4	Very low	168 Å²	168	136 Å²	136	79%	0.785	76%	0.757	S	S	*	*				42.6	142.9	116.1	-76.7	-174.7	-14.6	0	0	125
315	L	25.7	Very low	29.2	Very low	146 Å²	146	129.5 Å²	129.5	76%	0.764	75%	0.749	S	S	*	*			trans	69.5	112	150.6	-100.6	76.7	0	0	0	120.2
316	L	23.9	Very low	29.3	Very low	169 Å²	169	133.4 Å²	133.4	89%	0.885	76%	0.764	S	S	*	*				-177.5	162.9	108.9	-96.9	160.6	0	0	0	111.9
317	R	29.1	Very low	29.2	Very low	237 Å²	237	133.8 Å²	133.8	89%	0.894	78%	0.777	S	S	*	*			trans	-87.7	148.8	172.7	-123.9	178.9	-177.2	172.7	0.3	109.4
318	P	26.6	Very low	29.2	Very low	124 Å²	124	135.7 Å²	135.7	81%	0.805	79%	0.786	S	S	*	*				-143.6	167.7	112	38.2	-25.5	0	0	0	115.3
319	A	27.8	Very low	29.4	Very low	92 Å²	92	132.9 Å²	132.9	76%	0.76	79%	0.792	S	S	*	*			trans	-128.7	168	155.1	0	0	0	0	0	106.4
320	P	44.5	Very low	29.9	Very low	105 Å²	105	139 Å²	139	68%	0.682	80%	0.799	S	S	*	*			cis	-124.4	-173.9	5.3	43	-29.3	0	0	0	113.1
321	H	28.2	Very low	30.5	Very low	194 Å²	194	140.8 Å²	140.8	90%	0.898	80%	0.799	S	S	*	*				-168	160.3	126.7	-99.6	-67.2	0	0	0	109.4
322	A	30.6	Very low	31.1	Very low	103 Å²	103	141.4 Å²	141.4	85%	0.851	80%	0.804	S	S	*	*			trans	-130.2	130.6	-164.8	0	0	0	0	0	114.6
323	A	27.3	Very low	31.2	Very low	93 Å²	93	142.7 Å²	142.7	77%	0.769	81%	0.805	S	S	*	*			trans	-156.8	128	155.5	0	0	0	0	0	105.6
324	S	27.6	Very low	32.3	Very low	121 Å²	121	140.1 Å²	140.1	85%	0.846	80%	0.799	S	S	*	*				64.9	113.9	64.9	-162.6	0	0	0	0	111.3
325	A	28.5	Very low	33.7	Very low	74 Å²	74	134.5 Å²	134.5	61%	0.612	78%	0.778	S	S	*	*			cis	-156.8	172.7	-0.1	0	0	0	0	0	113
326	H	34.6	Very low	35.4	Very low	182 Å²	182	133.1 Å²	133.1	84%	0.843	78%	0.775	S	S	*	*			trans	17.2	111	161.4	-52.2	-65.3	0	0	0	119.9
327	T	29.7	Very low	37.5	Very low	143 Å²	143	126.6 Å²	126.6	88%	0.877	74%	0.741	S	S	*	*			trans	-140.3	145.7	136.7	-60.9	0	0	0	0	107.2
328	E	31.7	Very low	39.1	Very low	172 Å²	172	118.1 Å²	118.1	80%	0.804	72%	0.717	S	S	*	*			trans	-63.1	136.6	-168.8	-61.8	168.7	123.9	0	0	112.6	R330	E328-R330 VanDerWaalsContact C-N 3.31Å; E328-R330 PolarHBondContact O-N 3.35Å
329	A	31	Very low	40.3	Very low	97 Å²	97	117.4 Å²	117.4	80%	0.802	72%	0.715	S	S	*	*			trans	-69.1	90.5	169.8	0	0	0	0	0	109.4	L331	A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.32Å
330	R	34.7	Very low	41.4	Very low	236 Å²	236	121.7 Å²	121.7	89%	0.891	72%	0.719	S	S	*	*			trans	-61.4	94.7	164.6	-74.9	-173.8	175.3	-174.7	-1.1	108.7	E328 A332	E328-R330 VanDerWaalsContact C-N 3.31Å; E328-R330 PolarHBondContact O-N 3.35Å; R330-A332 PolarHBondContact O-N 3.26Å
331	L	36.7	Very low	41.8	Very low	162 Å²	162	120.5 Å²	120.5	85%	0.848	73%	0.726	S	S	*	*			trans	-54.8	107.7	158.2	-71.5	168.3	0	0	0	106.9	A329 D333	A329-L331 VanDerWaalsContact C-N 3.29Å; A329-L331 PolarHBondContact O-N 3.32Å; L331-D333 PolarHBondContact O-N 3.11Å
332	A	40	Very low	43.2	Very low	98 Å²	98	116.2 Å²	116.2	81%	0.81	71%	0.714	S	S	*	*			trans	-69.6	90	167.4	0	0	0	0	0	106.6	R330 S334	R330-A332 PolarHBondContact O-N 3.26Å; A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 3.3Å
333	D	45.9	Very low	45.3	Very low	136 Å²	136	113.2 Å²	113.2	73%	0.727	69%	0.693	S	S	*	*			trans	-65.3	91.5	-176.8	-161.7	24.2	0	0	0	108.7	L331 C335	L331-D333 PolarHBondContact O-N 3.11Å; D333-C335 PolarHBondContact O-N 2.93Å; D333-C335 VanDerWaalsContact O-N 3.16Å
334	S	48.8	Very low	48.1	Very low	91 Å²	91	109.9 Å²	109.9	64%	0.636	66%	0.662	S	S	*	*			trans	-62.6	118.7	-172.8	-168.8	0	0	0	0	108.2	A332 V336	A332-S334 VanDerWaalsContact C-N 3.3Å; A332-S334 PolarHBondContact O-N 3.3Å; S334-V336 PolarHBondContact O-N 3.45Å
335	C	56	Low	51.1	Low	50 Å²	50	107.5 Å²	107.5	34%	0.338	64%	0.643	S	S	.	*			trans	-72.4	42.8	-173.1	-70.4	0	0	0	0	113.6	D333 L337 C352 D374	D333-C335 PolarHBondContact O-N 2.93Å; D333-C335 VanDerWaalsContact O-N 3.16Å; C335-L337 PolarHBondContact O-N 2.76Å; C335-C352 PolarHBondContact O-SG 2.87Å; C335-C352 VanDerWaalsContact O-SG 3.39Å; C335-D374 HydrophobicContact CB-CB 4.25Å
336	V	60.6	Low	54	Low	116 Å²	116	107.9 Å²	107.9	70%	0.703	63%	0.634	S	S	*	*			trans	-81.6	106.6	174.2	177.4	0	0	0	0	108.2	S334	S334-V336 PolarHBondContact O-N 3.45Å
337	L	68.3	Low	56.7	Low	32 Å²	32	101.5 Å²	101.5	17%	0.168	61%	0.613	C	S	.	*	P	Polyproline II helix	trans	-58.7	145	168.2	-70.4	167	0	0	0	110	C335 S339 L344 D348 H418	C335-L337 PolarHBondContact O-N 2.76Å; L337-S339 PolarHBondContact O-N 2.67Å; L337-L344 HydrophobicContact CB-CD2 4.35Å; L337-L344 HydrophobicContact CD1-CD1 4.35Å; L337-L344 HydrophobicContact CD2-CD1 4.48Å; L337-L344 HydrophobicContact CD2-CD2 4.35Å; L337-D348 HydrophobicContact CD2-CB 3.91Å; L337-D348 VanDerWaalsContact CD2-O 3.29Å; L337-D348 WeakPolarHBondContact CD2-O 3.49Å; L337-H418 WeakPolarHBondContact CD1-CE1 3.35Å; L337-H418 VanDerWaalsContact CD1-ND1 3.34Å; L337-H418 WeakPolarHBondContact CD1-ND1 3.46Å
338	P	61.8	Low	59.7	Low	60 Å²	60	95.6 Å²	95.6	39%	0.39	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-49.3	133.2	172.6	-28.7	34.6	0	0	0	112.2	L344	P338-L344 HydrophobicContact CB-CD2 4.22Å; P338-L344 HydrophobicContact CG-CD2 4.17Å
339	S	52.3	Low	62.7	Low	109 Å²	109	87.4 Å²	87.4	76%	0.762	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.8	152	-179.9	-164.2	0	0	0	0	112	L337 G341	L337-S339 PolarHBondContact O-N 2.67Å; S339-G341 PolarHBondContact O-N 3.39Å
340	E	51.3	Low	65.7	Low	181 Å²	181	86.9 Å²	86.9	85%	0.846	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	121.1	-171.1	-65.1	-160.5	126	0	0	112.2
341	G	52.5	Low	68.5	Low	81 Å²	81	83.2 Å²	83.2	84%	0.835	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	140.3	-37.7	-175.2	0	0	0	0	0	112.2	S339 G343	S339-G341 PolarHBondContact O-N 3.39Å; G341-G343 PolarHBondContact O-N 2.7Å
342	T	57.3	Low	71.2	Confident	103 Å²	103	75.9 Å²	75.9	63%	0.632	47%	0.467	S	S	*	.	S	Bend	trans	-90.1	102.9	170.7	-45.7	0	0	0	0	109.2	L344	T342-L344 PolarHBondContact O-N 2.83Å; T342-L344 VanDerWaalsContact O-N 3.07Å
343	G	74.3	Confident	73.9	Confident	41 Å²	41	72.1 Å²	72.1	42%	0.423	43%	0.432	S	S	.	.			trans	-60.3	112.4	-174.5	0	0	0	0	0	112.8	G341	G341-G343 PolarHBondContact O-N 2.7Å
344	L	86	Confident	76.3	Confident	22 Å²	22	70.4 Å²	70.4	12%	0.115	42%	0.42	C	S	.	.	B	Isolated β-bridge	trans	-55.7	150.3	-171.4	-56.6	175.9	0	0	0	113.1	L337 P338 T342 D348 I349 H418 T420	L337-L344 HydrophobicContact CB-CD2 4.35Å; L337-L344 HydrophobicContact CD1-CD1 4.35Å; L337-L344 HydrophobicContact CD2-CD1 4.48Å; L337-L344 HydrophobicContact CD2-CD2 4.35Å; P338-L344 HydrophobicContact CB-CD2 4.22Å; P338-L344 HydrophobicContact CG-CD2 4.17Å; T342-L344 PolarHBondContact O-N 2.83Å; T342-L344 VanDerWaalsContact O-N 3.07Å; L344-D348 HydrophobicContact CD2-CB 4.46Å; L344-I349 HydrophobicContact CD1-CD1 4.13Å; L344-H418 HydrophobicContact CD1-CB 4.23Å; L344-T420 HydrophobicContact CB-CG2 4.3Å; L344-T420 WeakPolarHBondContact O-CA 3.4Å; L344-T420 VanDerWaalsContact O-CB 3.23Å; L344-T420 WeakPolarHBondContact O-CB 3.39Å; L344-T420 VanDerWaalsContact O-CG2 3.31Å; L344-T420 WeakPolarHBondContact O-CG2 3.34Å
345	T	90.9	Very high	78.6	Confident	71 Å²	71	68.3 Å²	68.3	44%	0.436	40%	0.401	S	S	.	.			trans	-99.3	166.6	170.1	76.6	0	0	0	0	111.3	A347 D348 I349	T345-A347 PolarHBondContact O-N 2.74Å; T345-A347 PolarHBondContact OG1-N 2.66Å; T345-D348 WeakPolarHBondContact CA-OD2 3.41Å; T345-D348 VanDerWaalsContact CB-OD2 3.3Å; T345-D348 WeakPolarHBondContact CB-OD2 3.4Å; T345-D348 PolarHBondContact N-OD2 3.04Å; T345-D348 PolarHBondContact O-N 2.88Å; T345-D348 VanDerWaalsContact OG1-CG 3.31Å; T345-D348 PolarHBondContact OG1-N 3.03Å; T345-D348 PolarHBondContact OG1-OD2 3.27Å; T345-I349 PolarHBondContact O-N 3.18Å
346	L	90.4	Very high	80.5	Confident	83 Å²	83	67.2 Å²	67.2	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-36.7	171.9	176.6	63.2	0	0	0	111.7	D348 I349 E350 Y425	L346-D348 PolarHBondContact O-N 3.36Å; L346-I349 WeakPolarHBondContact O-CB 2.97Å; L346-I349 PolarHBondContact O-N 3.36Å; L346-I349 VanDerWaalsContact O-N 3.12Å; L346-E350 HydrophobicContact CD1-CG 4.24Å; L346-E350 HydrophobicContact CG-CG 4.28Å; L346-E350 WeakPolarHBondContact O-CG 3.47Å; L346-E350 PolarHBondContact O-N 2.79Å; L346-Y425 HydrophobicContact CD1-CE1 4.32Å
347	A	90.6	Very high	82.1	Confident	48 Å²	48	69 Å²	69	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-64	-28.9	178.6	0	0	0	0	0	112.5	T345 E350 R351	T345-A347 PolarHBondContact O-N 2.74Å; T345-A347 PolarHBondContact OG1-N 2.66Å; A347-E350 PolarHBondContact O-N 2.88Å; A347-R351 WeakPolarHBondContact O-CB 3.35Å; A347-R351 WeakPolarHBondContact O-CD 3.08Å; A347-R351 VanDerWaalsContact O-CG 3.23Å; A347-R351 WeakPolarHBondContact O-CG 3.43Å; A347-R351 PolarHBondContact O-N 2.89Å
348	D	92.6	Very high	83.3	Confident	18 Å²	18	71.5 Å²	71.5	10%	0.096	41%	0.406	C	S	.	.	H	α-helix	trans	-72.3	-37.3	174.7	-53.9	-53.8	0	0	0	111.4	L337 L344 T345 L346 R351 C352	L337-D348 HydrophobicContact CD2-CB 3.91Å; L337-D348 VanDerWaalsContact CD2-O 3.29Å; L337-D348 WeakPolarHBondContact CD2-O 3.49Å; L344-D348 HydrophobicContact CD2-CB 4.46Å; T345-D348 WeakPolarHBondContact CA-OD2 3.41Å; T345-D348 VanDerWaalsContact CB-OD2 3.3Å; T345-D348 WeakPolarHBondContact CB-OD2 3.4Å; T345-D348 PolarHBondContact N-OD2 3.04Å; T345-D348 PolarHBondContact O-N 2.88Å; T345-D348 VanDerWaalsContact OG1-CG 3.31Å; T345-D348 PolarHBondContact OG1-N 3.03Å; T345-D348 PolarHBondContact OG1-OD2 3.27Å; L346-D348 PolarHBondContact O-N 3.36Å; D348-R351 WeakPolarHBondContact O-CB 3.41Å; D348-R351 PolarHBondContact O-N 2.92Å; D348-R351 IonicContact OD1-CZ 3.37Å; D348-R351 IonicContact OD1-NH1 2.83Å; D348-R351 PolarHBondContact OD1-NH1 2.99Å; D348-C352 PolarHBondContact O-N 3.45Å
349	I	94.1	Very high	84.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-64.1	-44.6	170.1	-50.6	-55.3	0	0	0	110.4	L344 T345 L346 R351 C352 Y353 I355 M381 H418 T420 Y425	L344-I349 HydrophobicContact CD1-CD1 4.13Å; T345-I349 PolarHBondContact O-N 3.18Å; L346-I349 WeakPolarHBondContact O-CB 2.97Å; L346-I349 PolarHBondContact O-N 3.36Å; L346-I349 VanDerWaalsContact O-N 3.12Å; I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.34Å; I349-C352 PolarHBondContact O-N 2.87Å; I349-C352 VanDerWaalsContact O-N 3.15Å; I349-Y353 HydrophobicContact CG2-CD2 3.97Å; I349-Y353 WeakPolarHBondContact O-CD2 3.16Å; I349-Y353 PolarHBondContact O-N 3.44Å; I349-I355 HydrophobicContact CG2-CD1 4.49Å; I349-M381 HydrophobicContact CG2-CE 4.02Å; I349-M381 HydrophobicContact CG2-SD 4.3Å; I349-H418 HydrophobicContact CD1-CB 3.6Å; I349-T420 HydrophobicContact CG1-CG2 4.19Å; I349-Y425 HydrophobicContact CG1-CD2 4.4Å; I349-Y425 HydrophobicContact CG1-CE1 4.44Å; I349-Y425 HydrophobicContact CG1-CE2 4.25Å; I349-Y425 HydrophobicContact CG2-CD1 4.17Å; I349-Y425 HydrophobicContact CG2-CE1 4.32Å
350	E	94.1	Very high	86.2	Confident	87 Å²	87	68.3 Å²	68.3	41%	0.407	38%	0.382	S	S	.	.	H	α-helix	trans	-69.8	-20.8	-179.2	-69.7	173.1	162.9	0	0	113.7	L346 A347 Y353 I355 R373	L346-E350 HydrophobicContact CD1-CG 4.24Å; L346-E350 HydrophobicContact CG-CG 4.28Å; L346-E350 WeakPolarHBondContact O-CG 3.47Å; L346-E350 PolarHBondContact O-N 2.79Å; A347-E350 PolarHBondContact O-N 2.88Å; E350-Y353 CarbonylContact C-O 3.58Å; E350-Y353 WeakPolarHBondContact CA-O 3.27Å; E350-I355 HydrophobicContact CG-CD1 4.03Å; E350-R373 PolarHBondContact O-NE 2.91Å; E350-R373 PolarHBondContact O-NH2 3.18Å
351	R	93.9	Very high	87.6	Confident	158 Å²	158	64.8 Å²	64.8	60%	0.596	37%	0.37	S	S	*	.	H	α-helix	trans	-70.8	-30.5	169.3	-83.9	163.1	163.4	161.8	-6.5	113.6	A347 D348 I349 R373	A347-R351 WeakPolarHBondContact O-CB 3.35Å; A347-R351 WeakPolarHBondContact O-CD 3.08Å; A347-R351 VanDerWaalsContact O-CG 3.23Å; A347-R351 WeakPolarHBondContact O-CG 3.43Å; A347-R351 PolarHBondContact O-N 2.89Å; D348-R351 WeakPolarHBondContact O-CB 3.41Å; D348-R351 PolarHBondContact O-N 2.92Å; D348-R351 IonicContact OD1-CZ 3.37Å; D348-R351 IonicContact OD1-NH1 2.83Å; D348-R351 PolarHBondContact OD1-NH1 2.99Å; I349-R351 VanDerWaalsContact C-N 3.28Å; I349-R351 PolarHBondContact O-N 3.34Å; R351-R373 WeakPolarHBondContact O-CD 3.11Å
352	C	94.1	Very high	88.5	Confident	9 Å²	9	62.7 Å²	62.7	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-100	-25.8	179.5	-62.6	0	0	0	0	113	C335 D348 I349 R373	C335-C352 PolarHBondContact O-SG 2.87Å; C335-C352 VanDerWaalsContact O-SG 3.39Å; D348-C352 PolarHBondContact O-N 3.45Å; I349-C352 PolarHBondContact O-N 2.87Å; I349-C352 VanDerWaalsContact O-N 3.15Å; C352-R373 WeakPolarHBondContact O-CB 3.36Å; C352-R373 PolarHBondContact O-N 2.88Å
353	Y	96.8	Very high	89	Confident	19 Å²	19	61.8 Å²	61.8	8%	0.075	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.9	-175.4	-56.7	-84.9	0	0	0	111.9	I349 E350 I355 R371 R372 V379 M381 H418 V427	I349-Y353 HydrophobicContact CG2-CD2 3.97Å; I349-Y353 WeakPolarHBondContact O-CD2 3.16Å; I349-Y353 PolarHBondContact O-N 3.44Å; E350-Y353 CarbonylContact C-O 3.58Å; E350-Y353 WeakPolarHBondContact CA-O 3.27Å; Y353-I355 PolarHBondContact O-N 2.91Å; Y353-R371 CarbonylContact C-O 3.49Å; Y353-R371 WeakPolarHBondContact CA-O 3.48Å; Y353-R372 HydrophobicContact CD1-CG 3.83Å; Y353-R372 HydrophobicContact CE1-CG 3.51Å; Y353-V379 HydrophobicContact CD1-CG2 4.32Å; Y353-M381 HydrophobicContact CD1-CE 3.93Å; Y353-M381 HydrophobicContact CD2-CE 3.82Å; Y353-M381 HydrophobicContact CE2-CE 4.48Å; Y353-M381 HydrophobicContact CG-CE 3.52Å; Y353-H418 AromaticContact CE2-CD2 3.66Å; Y353-H418 AromaticContact CE2-NE2 3.49Å; Y353-H418 WeakPolarHBondContact CE2-NE2 3.35Å; Y353-H418 AromaticContact CZ-NE2 3.6Å; Y353-H418 PolarHBondContact OH-NE2 2.97Å; Y353-V427 HydrophobicContact CE1-CG1 3.86Å; Y353-V427 HydrophobicContact CE1-CG2 4.07Å; Y353-V427 HydrophobicContact CE2-CG2 4.4Å
354	E	96.8	Very high	88.7	Confident	100 Å²	100	62.9 Å²	62.9	47%	0.467	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110	164.7	-176.8	176.9	-162.3	0	0	108.5	G356 C370 R371	E354-G356 PolarHBondContact O-N 3.12Å; E354-C370 CarbonylContact O-C 3.57Å; E354-C370 WeakPolarHBondContact O-CA 3.29Å; E354-C370 WeakPolarHBondContact O-CB 3.46Å; E354-R371 HydrophobicContact CB-CB 4.13Å; E354-R371 PolarHBondContact N-O 3.23Å; E354-R371 PolarHBondContact O-N 3.41Å
355	I	96.2	Very high	88.7	Confident	46 Å²	46	62.5 Å²	62.5	24%	0.236	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.6	-175.2	-59	178.7	0	0	0	110.2	I349 E350 Y353 R368 M381	I349-I355 HydrophobicContact CG2-CD1 4.49Å; E350-I355 HydrophobicContact CG-CD1 4.03Å; Y353-I355 PolarHBondContact O-N 2.91Å; I355-R368 HydrophobicContact CG2-CB 4.38Å; I355-M381 HydrophobicContact CD1-SD 4.33Å
356	G	95.1	Very high	88.7	Confident	28 Å²	28	61.4 Å²	61.4	29%	0.289	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-144.1	-174.9	0	0	0	0	0	114.4	E354 R368 E369	E354-G356 PolarHBondContact O-N 3.12Å; G356-R368 PolarHBondContact O-NH1 3.39Å; G356-E369 CarbonylContact C-O 3.29Å; G356-E369 WeakPolarHBondContact CA-O 3.43Å; G356-E369 PolarHBondContact N-O 2.9Å
357	R	94.4	Very high	88.9	Confident	153 Å²	153	59.3 Å²	59.3	58%	0.577	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	154.3	-172	69.5	175.3	179.4	-71.5	-19.5	112.9	I359 R368 E369	R357-I359 HydrophobicContact CG-CG2 3.98Å; R357-R368 CarbonylContact O-C 3.6Å; R357-R368 VanDerWaalsContact O-CA 3.27Å; R357-R368 WeakPolarHBondContact O-CA 3.48Å; R357-E369 HydrophobicContact CG-CB 4.3Å; R357-E369 IonicContact CZ-OE1 3.43Å; R357-E369 VanDerWaalsContact CZ-OE1 3.26Å; R357-E369 IonicContact CZ-OE2 2.87Å; R357-E369 VanDerWaalsContact CZ-OE2 3.28Å; R357-E369 IonicContact NH1-OE1 3.44Å; R357-E369 PolarHBondContact NH1-OE1 3.46Å; R357-E369 VanDerWaalsContact NH1-OE1 3.15Å; R357-E369 IonicContact NH1-OE2 3.12Å; R357-E369 PolarHBondContact NH1-OE2 2.98Å; R357-E369 IonicContact NH2-OE1 2.65Å; R357-E369 PolarHBondContact NH2-OE1 3.26Å; R357-E369 IonicContact NH2-OE2 3.9Å; R357-E369 PolarHBondContact O-N 2.74Å
358	L	93.8	Very high	89.2	Confident	85 Å²	85	61.5 Å²	61.5	45%	0.445	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.3	166.2	-169.6	69.6	0	0	0	109	G360 D361 V366 R368	L358-G360 WeakPolarHBondContact CD1-O 3.4Å; L358-D361 HydrophobicContact CD2-CB 4.26Å; L358-V366 HydrophobicContact CD1-CB 3.9Å; L358-V366 HydrophobicContact CD1-CG1 4.36Å; L358-R368 HydrophobicContact CD1-CG 4.38Å
359	I	90	Very high	89.4	Confident	73 Å²	73	63 Å²	63	37%	0.374	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	-7.8	176.8	62.9	174.9	0	0	0	113	R357 V367 E369 A380 L430	R357-I359 HydrophobicContact CG-CG2 3.98Å; I359-V367 HydrophobicContact CD1-CG1 4.03Å; I359-V367 HydrophobicContact CG1-CB 4.2Å; I359-V367 HydrophobicContact CG1-CG1 3.84Å; I359-V367 WeakPolarHBondContact CG1-O 3.31Å; I359-V367 PolarHBondContact N-O 3.21Å; I359-E369 HydrophobicContact CD1-CB 4.3Å; I359-E369 HydrophobicContact CG2-CB 3.9Å; I359-A380 HydrophobicContact CD1-CB 4.31Å; I359-L430 HydrophobicContact CD1-CD1 3.63Å
360	G	85.1	Confident	89.5	Confident	28 Å²	28	63.2 Å²	63.2	29%	0.289	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	144.3	169.3	0	0	0	0	0	111.1	L358 V367	L358-G360 WeakPolarHBondContact CD1-O 3.4Å; G360-V367 PolarHBondContact N-O 2.93Å; G360-V367 VanDerWaalsContact N-O 3.1Å; G360-V367 PolarHBondContact O-N 3.31Å
361	D	81.7	Confident	89.7	Confident	108 Å²	108	65.6 Å²	65.6	58%	0.578	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.4	-179.4	-167.2	2.9	0	0	0	109.5	L358	L358-D361 HydrophobicContact CD2-CB 4.26Å
362	G	71.1	Confident	89.7	Confident	36 Å²	36	60.8 Å²	60.8	37%	0.371	31%	0.309	S	S	.	.			trans	-124.7	153.7	-176.1	0	0	0	0	0	112.3	F364 A365	G362-F364 PolarHBondContact O-N 3.41Å; G362-A365 CarbonylContact C-O 3.56Å; G362-A365 WeakPolarHBondContact CA-O 3.36Å; G362-A365 PolarHBondContact N-O 3.45Å; G362-A365 PolarHBondContact O-N 3.48Å
363	N	66.2	Low	89.8	Confident	85 Å²	85	66.6 Å²	66.6	46%	0.455	33%	0.329	S	S	.	.	S	Bend	trans	-54.3	-23.4	-170.1	-65.9	-17.9	0	0	0	115.2	N207	N207-N363 HydrophobicContact CB-CB 3.98Å; N207-N363 PolarHBondContact OD1-ND2 3.46Å
364	F	69.8	Low	89.6	Confident	63 Å²	63	70.2 Å²	70.2	28%	0.276	35%	0.35	S	S	.	.	S	Bend	trans	-109.9	-25.9	174.8	-63	-58.4	0	0	0	114.6	N207 G362 K388	N207-F364 HydrophobicContact CB-CD2 4.42Å; N207-F364 HydrophobicContact CB-CE1 3.98Å; N207-F364 HydrophobicContact CB-CE2 3.6Å; N207-F364 HydrophobicContact CB-CZ 3.35Å; G362-F364 PolarHBondContact O-N 3.41Å; F364-K388 HydrophobicContact CD1-CB 4.25Å
365	A	84.9	Confident	89.4	Confident	14 Å²	14	69.6 Å²	69.6	12%	0.116	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.1	-164.7	0	0	0	0	0	111.8	G362 K382 I383 V384	G362-A365 CarbonylContact C-O 3.56Å; G362-A365 WeakPolarHBondContact CA-O 3.36Å; G362-A365 PolarHBondContact N-O 3.45Å; G362-A365 PolarHBondContact O-N 3.48Å; A365-K382 HydrophobicContact CB-CD 4.48Å; A365-K382 HydrophobicContact CB-CG 3.88Å; A365-I383 VanDerWaalsContact CA-O 3.27Å; A365-I383 WeakPolarHBondContact CA-O 3.44Å; A365-V384 HydrophobicContact CB-CG2 3.88Å
366	V	91.4	Very high	89.3	Confident	48 Å²	48	68.4 Å²	68.4	29%	0.291	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136	169.3	-63.8	0	0	0	0	109.3	L358 I383	L358-V366 HydrophobicContact CD1-CB 3.9Å; L358-V366 HydrophobicContact CD1-CG1 4.36Å; V366-I383 HydrophobicContact CG2-CB 4.01Å; V366-I383 PolarHBondContact N-O 3.43Å; V366-I383 PolarHBondContact O-N 3.38Å
367	V	94.3	Very high	89.3	Confident	39 Å²	39	70.8 Å²	70.8	24%	0.236	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125.6	177.7	-168.6	0	0	0	0	108.7	I359 G360 A380 M381 K382	I359-V367 HydrophobicContact CD1-CG1 4.03Å; I359-V367 HydrophobicContact CG1-CB 4.2Å; I359-V367 HydrophobicContact CG1-CG1 3.84Å; I359-V367 WeakPolarHBondContact CG1-O 3.31Å; I359-V367 PolarHBondContact N-O 3.21Å; G360-V367 PolarHBondContact N-O 2.93Å; G360-V367 VanDerWaalsContact N-O 3.1Å; G360-V367 PolarHBondContact O-N 3.31Å; V367-A380 HydrophobicContact CG1-CB 4.27Å; V367-M381 WeakPolarHBondContact CA-O 3.22Å; V367-K382 HydrophobicContact CG2-CB 4.24Å; V367-K382 HydrophobicContact CG2-CG 4.31Å
368	R	96.3	Very high	89.4	Confident	95 Å²	95	67.2 Å²	67.2	36%	0.358	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.8	175.6	-71.6	-169.1	169.5	-131.8	7.6	111.7	I355 G356 R357 L358 A380 M381	I355-R368 HydrophobicContact CG2-CB 4.38Å; G356-R368 PolarHBondContact O-NH1 3.39Å; R357-R368 CarbonylContact O-C 3.6Å; R357-R368 VanDerWaalsContact O-CA 3.27Å; R357-R368 WeakPolarHBondContact O-CA 3.48Å; L358-R368 HydrophobicContact CD1-CG 4.38Å; R368-A380 CarbonylContact O-C 3.5Å; R368-A380 WeakPolarHBondContact O-CA 3.41Å; R368-M381 PolarHBondContact N-O 2.86Å; R368-M381 PolarHBondContact O-N 3.25Å
369	E	96.4	Very high	89.6	Confident	49 Å²	49	63.1 Å²	63.1	23%	0.229	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	131.9	159.2	-178.8	-171.7	-107.7	0	0	107.8	G356 R357 I359 L430	G356-E369 CarbonylContact C-O 3.29Å; G356-E369 WeakPolarHBondContact CA-O 3.43Å; G356-E369 PolarHBondContact N-O 2.9Å; R357-E369 HydrophobicContact CG-CB 4.3Å; R357-E369 IonicContact CZ-OE1 3.43Å; R357-E369 VanDerWaalsContact CZ-OE1 3.26Å; R357-E369 IonicContact CZ-OE2 2.87Å; R357-E369 VanDerWaalsContact CZ-OE2 3.28Å; R357-E369 IonicContact NH1-OE1 3.44Å; R357-E369 PolarHBondContact NH1-OE1 3.46Å; R357-E369 VanDerWaalsContact NH1-OE1 3.15Å; R357-E369 IonicContact NH1-OE2 3.12Å; R357-E369 PolarHBondContact NH1-OE2 2.98Å; R357-E369 IonicContact NH2-OE1 2.65Å; R357-E369 PolarHBondContact NH2-OE1 3.26Å; R357-E369 IonicContact NH2-OE2 3.9Å; R357-E369 PolarHBondContact O-N 2.74Å; I359-E369 HydrophobicContact CD1-CB 4.3Å; I359-E369 HydrophobicContact CG2-CB 3.9Å; E369-L430 HydrophobicContact CG-CD1 4.38Å; E369-L430 HydrophobicContact CG-CD2 3.91Å
370	C	97.1	Very high	90	Very high	4 Å²	4	60.1 Å²	60.1	3%	0.027	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	160	177.8	-66.2	0	0	0	0	109.8	E354 V379 M381	E354-C370 CarbonylContact O-C 3.57Å; E354-C370 WeakPolarHBondContact O-CA 3.29Å; E354-C370 WeakPolarHBondContact O-CB 3.46Å; C370-V379 HydrophobicContact CB-CG2 3.86Å; C370-V379 PolarHBondContact N-O 2.87Å; C370-V379 PolarHBondContact O-N 2.77Å; C370-V379 VanDerWaalsContact O-O 3.05Å; C370-M381 HydrophobicContact CB-CB 4.37Å; C370-M381 HydrophobicContact CB-CE 4.39Å; C370-M381 WeakPolarHBondContact SG-CB 3.16Å
371	R	97.1	Very high	90.6	Very high	137 Å²	137	58.8 Å²	58.8	52%	0.517	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.9	170.7	-157.6	178.6	-170.1	-167	-2.1	110.2	Y353 E354 G376	Y353-R371 CarbonylContact C-O 3.49Å; Y353-R371 WeakPolarHBondContact CA-O 3.48Å; E354-R371 HydrophobicContact CB-CB 4.13Å; E354-R371 PolarHBondContact N-O 3.23Å; E354-R371 PolarHBondContact O-N 3.41Å; R371-G376 WeakPolarHBondContact CG-O 3.42Å; R371-G376 PolarHBondContact NE-O 3.27Å; R371-G376 PolarHBondContact NH2-O 3.07Å
372	R	95.8	Very high	91.2	Very high	57 Å²	57	54.5 Å²	54.5	22%	0.215	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	132.7	168.1	-86	-179.9	64.2	-148.7	-4.8	109.6	Y353 D374 D375 G376 Q377 V379	Y353-R372 HydrophobicContact CD1-CG 3.83Å; Y353-R372 HydrophobicContact CE1-CG 3.51Å; R372-D374 WeakPolarHBondContact CB-OD1 3.43Å; R372-D374 IonicContact CZ-OD1 2.7Å; R372-D374 IonicContact CZ-OD2 3.57Å; R372-D374 IonicContact NE-OD1 3.28Å; R372-D374 PolarHBondContact NE-OD1 3.39Å; R372-D374 VanDerWaalsContact NE-OD1 3.15Å; R372-D374 IonicContact NE-OD2 3.26Å; R372-D374 IonicContact NH2-OD1 3.15Å; R372-D374 PolarHBondContact NH2-OD1 3.22Å; R372-D374 IonicContact NH2-OD2 3.59Å; R372-D374 PolarHBondContact NH2-OD2 3.42Å; R372-D375 VanDerWaalsContact CB-OD1 3.27Å; R372-D375 WeakPolarHBondContact CB-OD1 3.47Å; R372-D375 VanDerWaalsContact CZ-CG 3.42Å; R372-D375 IonicContact CZ-OD1 3.86Å; R372-D375 IonicContact CZ-OD2 3.18Å; R372-D375 IonicContact NE-OD1 2.66Å; R372-D375 IonicContact NE-OD2 3.64Å; R372-D375 IonicContact NH1-OD1 3.18Å; R372-D375 IonicContact NH1-OD2 2.72Å; R372-D375 PolarHBondContact NH1-OD2 3.39Å; R372-D375 IonicContact NH2-OD1 3.03Å; R372-D375 IonicContact NH2-OD2 2.7Å; R372-D375 PolarHBondContact NH2-OD2 2.68Å; R372-D375 VanDerWaalsContact NH2-OD2 3.11Å; R372-G376 WeakPolarHBondContact O-CA 3.23Å; R372-G376 PolarHBondContact O-N 2.94Å; R372-Q377 HydrophobicContact CB-CB 4.3Å; R372-Q377 PolarHBondContact N-O 2.79Å; R372-V379 HydrophobicContact CG-CG1 4.17Å; R372-V379 HydrophobicContact CG-CG2 4.43Å
373	R	94.9	Very high	92.3	Very high	131 Å²	131	53.8 Å²	53.8	49%	0.494	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-19.7	-175.7	-69.7	177.1	179.1	-72.1	8.7	113.6	E350 R351 C352	E350-R373 PolarHBondContact O-NE 2.91Å; E350-R373 PolarHBondContact O-NH2 3.18Å; R351-R373 WeakPolarHBondContact O-CD 3.11Å; C352-R373 WeakPolarHBondContact O-CB 3.36Å; C352-R373 PolarHBondContact O-N 2.88Å
374	D	92.7	Very high	93.4	Very high	96 Å²	96	50 Å²	50	51%	0.513	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-40.3	-178.6	58.1	-38.1	0	0	0	113.1	C335 R372	C335-D374 HydrophobicContact CB-CB 4.25Å; R372-D374 WeakPolarHBondContact CB-OD1 3.43Å; R372-D374 IonicContact CZ-OD1 2.7Å; R372-D374 IonicContact CZ-OD2 3.57Å; R372-D374 IonicContact NE-OD1 3.28Å; R372-D374 PolarHBondContact NE-OD1 3.39Å; R372-D374 VanDerWaalsContact NE-OD1 3.15Å; R372-D374 IonicContact NE-OD2 3.26Å; R372-D374 IonicContact NH2-OD1 3.15Å; R372-D374 PolarHBondContact NH2-OD1 3.22Å; R372-D374 IonicContact NH2-OD2 3.59Å; R372-D374 PolarHBondContact NH2-OD2 3.42Å
375	D	93.6	Very high	94.2	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-2.6	178.5	68.9	-1.1	0	0	0	114.8	R372 Q377	R372-D375 VanDerWaalsContact CB-OD1 3.27Å; R372-D375 WeakPolarHBondContact CB-OD1 3.47Å; R372-D375 VanDerWaalsContact CZ-CG 3.42Å; R372-D375 IonicContact CZ-OD1 3.86Å; R372-D375 IonicContact CZ-OD2 3.18Å; R372-D375 IonicContact NE-OD1 2.66Å; R372-D375 IonicContact NE-OD2 3.64Å; R372-D375 IonicContact NH1-OD1 3.18Å; R372-D375 IonicContact NH1-OD2 2.72Å; R372-D375 PolarHBondContact NH1-OD2 3.39Å; R372-D375 IonicContact NH2-OD1 3.03Å; R372-D375 IonicContact NH2-OD2 2.7Å; R372-D375 PolarHBondContact NH2-OD2 2.68Å; R372-D375 VanDerWaalsContact NH2-OD2 3.11Å; D375-Q377 PolarHBondContact O-N 3.29Å; D375-Q377 WeakPolarHBondContact OD1-CB 3.48Å; D375-Q377 PolarHBondContact OD1-N 3.44Å
376	G	93.9	Very high	94.1	Very high	21 Å²	21	54.7 Å²	54.7	22%	0.216	26%	0.26	C	S	.	.			trans	72	12.1	-177.5	0	0	0	0	0	114.4	R371 R372	R371-G376 WeakPolarHBondContact CG-O 3.42Å; R371-G376 PolarHBondContact NE-O 3.27Å; R371-G376 PolarHBondContact NH2-O 3.07Å; R372-G376 WeakPolarHBondContact O-CA 3.23Å; R372-G376 PolarHBondContact O-N 2.94Å
377	Q	95.4	Very high	93.5	Very high	78 Å²	78	56 Å²	56	36%	0.364	27%	0.271	S	S	.	.			trans	-68.6	132.1	-178	-176	-179.3	51.8	0	0	111.6	R372 D375 V379	R372-Q377 HydrophobicContact CB-CB 4.3Å; R372-Q377 PolarHBondContact N-O 2.79Å; D375-Q377 PolarHBondContact O-N 3.29Å; D375-Q377 WeakPolarHBondContact OD1-CB 3.48Å; D375-Q377 PolarHBondContact OD1-N 3.44Å; Q377-V379 HydrophobicContact CG-CG1 4.21Å
378	P	96.6	Very high	92.4	Very high	78 Å²	78	57.4 Å²	57.4	51%	0.506	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	132.3	170.5	31.5	-33.8	0	0	0	110.7	L430	P378-L430 HydrophobicContact CB-CD2 3.85Å
379	V	97.4	Very high	91.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.9	-177.1	-59.7	0	0	0	0	110.4	Y353 C370 R372 Q377 L415 V427 M428	Y353-V379 HydrophobicContact CD1-CG2 4.32Å; C370-V379 HydrophobicContact CB-CG2 3.86Å; C370-V379 PolarHBondContact N-O 2.87Å; C370-V379 PolarHBondContact O-N 2.77Å; C370-V379 VanDerWaalsContact O-O 3.05Å; R372-V379 HydrophobicContact CG-CG1 4.17Å; R372-V379 HydrophobicContact CG-CG2 4.43Å; Q377-V379 HydrophobicContact CG-CG1 4.21Å; V379-L415 HydrophobicContact CB-CD1 4.24Å; V379-L415 HydrophobicContact CG1-CD1 3.57Å; V379-V427 HydrophobicContact CB-CG1 3.96Å; V379-V427 HydrophobicContact CG1-CG1 4.3Å; V379-V427 HydrophobicContact CG2-CG1 3.81Å; V379-M428 WeakPolarHBondContact CB-O 3.39Å
380	A	97.4	Very high	89.8	Confident	10 Å²	10	57.9 Å²	57.9	8%	0.083	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	143.7	166.7	0	0	0	0	0	109.4	I359 V367 R368 V427 M428 L430	I359-A380 HydrophobicContact CD1-CB 4.31Å; V367-A380 HydrophobicContact CG1-CB 4.27Å; R368-A380 CarbonylContact O-C 3.5Å; R368-A380 WeakPolarHBondContact O-CA 3.41Å; A380-V427 CarbonylContact O-C 3.44Å; A380-V427 WeakPolarHBondContact O-CA 3.23Å; A380-M428 HydrophobicContact CB-CB 4.34Å; A380-M428 PolarHBondContact N-O 3.46Å; A380-M428 PolarHBondContact O-N 3.42Å; A380-L430 HydrophobicContact CB-CD1 4.09Å
381	M	97.3	Very high	88	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	107.5	176.2	-169.6	-176.4	-74.4	0	0	109.7	I349 Y353 I355 V367 R368 C370 I383 Y425 L426 V427	I349-M381 HydrophobicContact CG2-CE 4.02Å; I349-M381 HydrophobicContact CG2-SD 4.3Å; Y353-M381 HydrophobicContact CD1-CE 3.93Å; Y353-M381 HydrophobicContact CD2-CE 3.82Å; Y353-M381 HydrophobicContact CE2-CE 4.48Å; Y353-M381 HydrophobicContact CG-CE 3.52Å; I355-M381 HydrophobicContact CD1-SD 4.33Å; V367-M381 WeakPolarHBondContact CA-O 3.22Å; R368-M381 PolarHBondContact N-O 2.86Å; R368-M381 PolarHBondContact O-N 3.25Å; C370-M381 HydrophobicContact CB-CB 4.37Å; C370-M381 HydrophobicContact CB-CE 4.39Å; C370-M381 WeakPolarHBondContact SG-CB 3.16Å; M381-I383 HydrophobicContact CG-CD1 4.39Å; M381-I383 HydrophobicContact CG-CG1 3.86Å; M381-I383 HydrophobicContact SD-CD1 4.06Å; M381-I383 HydrophobicContact SD-CG1 4.07Å; M381-Y425 HydrophobicContact CG-CD1 4.47Å; M381-Y425 HydrophobicContact SD-CD1 3.73Å; M381-L426 WeakPolarHBondContact CA-O 3.32Å; M381-V427 HydrophobicContact CE-CG2 4.25Å
382	K	95	Very high	86.5	Confident	17 Å²	17	56.8 Å²	56.8	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	108.3	172.8	178.2	179.8	173.8	-173.2	0	108.1	A365 V367 V384 E399 L426 M428 D496	A365-K382 HydrophobicContact CB-CD 4.48Å; A365-K382 HydrophobicContact CB-CG 3.88Å; V367-K382 HydrophobicContact CG2-CB 4.24Å; V367-K382 HydrophobicContact CG2-CG 4.31Å; K382-V384 HydrophobicContact CG-CG2 4.39Å; K382-E399 IonicContact NZ-OE1 2.67Å; K382-E399 PolarHBondContact NZ-OE1 3.24Å; K382-E399 IonicContact NZ-OE2 3.11Å; K382-E399 PolarHBondContact NZ-OE2 2.8Å; K382-L426 HydrophobicContact CB-CB 4.26Å; K382-L426 PolarHBondContact N-O 2.89Å; K382-L426 PolarHBondContact O-N 3.2Å; K382-M428 HydrophobicContact CB-CE 4.15Å; K382-M428 HydrophobicContact CB-SD 4.48Å; K382-M428 HydrophobicContact CD-CE 3.89Å; K382-D496 IonicContact NZ-OD1 3.93Å; K382-D496 PolarHBondContact NZ-OD1 3.27Å
383	I	94.2	Very high	85.4	Confident	21 Å²	21	59.2 Å²	59.2	11%	0.108	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.4	-175.2	-50.4	177.1	0	0	0	108.9	A365 V366 M381 H423 Y425	A365-I383 VanDerWaalsContact CA-O 3.27Å; A365-I383 WeakPolarHBondContact CA-O 3.44Å; V366-I383 HydrophobicContact CG2-CB 4.01Å; V366-I383 PolarHBondContact N-O 3.43Å; V366-I383 PolarHBondContact O-N 3.38Å; M381-I383 HydrophobicContact CG-CD1 4.39Å; M381-I383 HydrophobicContact CG-CG1 3.86Å; M381-I383 HydrophobicContact SD-CD1 4.06Å; M381-I383 HydrophobicContact SD-CG1 4.07Å; I383-H423 HydrophobicContact CG2-CB 4.32Å; I383-Y425 HydrophobicContact CB-CD1 4.46Å; I383-Y425 HydrophobicContact CD1-CD1 4.27Å; I383-Y425 HydrophobicContact CD1-CE1 4.36Å; I383-Y425 HydrophobicContact CG1-CD1 3.94Å; I383-Y425 HydrophobicContact CG1-CE1 4.39Å; I383-Y425 HydrophobicContact CG2-CD1 3.96Å; I383-Y425 HydrophobicContact CG2-CE1 3.85Å
384	V	89.3	Confident	84.2	Confident	6 Å²	6	59.1 Å²	59.1	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127	-173.9	-167.9	0	0	0	0	110	A365 K382 R386 L389 M396 H423 S424	A365-V384 HydrophobicContact CB-CG2 3.88Å; K382-V384 HydrophobicContact CG-CG2 4.39Å; V384-R386 PolarHBondContact O-N 2.91Å; V384-L389 HydrophobicContact CG1-CD1 3.92Å; V384-L389 HydrophobicContact CG1-CD2 3.96Å; V384-L389 HydrophobicContact CG1-CG 4.01Å; V384-M396 HydrophobicContact CB-CE 3.75Å; V384-M396 HydrophobicContact CG1-CE 3.93Å; V384-M396 HydrophobicContact CG2-CE 3.75Å; V384-H423 CarbonylContact O-C 3.57Å; V384-H423 WeakPolarHBondContact O-CA 3.36Å; V384-S424 PolarHBondContact N-O 3.19Å; V384-S424 PolarHBondContact O-N 2.75Å
385	E	87.5	Confident	83.1	Confident	77 Å²	77	57.2 Å²	57.2	36%	0.36	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.7	173.9	-77.9	172.1	-116.7	0	0	110.9	S387 K388	E385-S387 PolarHBondContact O-N 3.11Å; E385-S387 PolarHBondContact OE2-OG 3.03Å; E385-K388 HydrophobicContact CB-CD 4.03Å; E385-K388 HydrophobicContact CB-CG 3.98Å; E385-K388 WeakPolarHBondContact O-CB 3.28Å; E385-K388 PolarHBondContact O-N 2.66Å; E385-K388 WeakPolarHBondContact OE1-CE 2.94Å; E385-K388 IonicContact OE1-NZ 2.89Å; E385-K388 PolarHBondContact OE1-NZ 3.37Å; E385-K388 WeakPolarHBondContact OE2-CE 3.36Å; E385-K388 IonicContact OE2-NZ 3.42Å
386	R	82.7	Confident	82.5	Confident	99 Å²	99	54 Å²	54	37%	0.374	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65	-24.5	-179.8	-64.7	175.5	74.3	94.8	-4.6	112.7	V384 K388 L389 T420 T422 S424	V384-R386 PolarHBondContact O-N 2.91Å; R386-K388 PolarHBondContact O-N 2.95Å; R386-L389 WeakPolarHBondContact O-CB 3.22Å; R386-L389 PolarHBondContact O-N 2.62Å; R386-L389 VanDerWaalsContact O-N 3.09Å; R386-T420 VanDerWaalsContact CD-O 3.26Å; R386-T420 WeakPolarHBondContact CD-O 3.16Å; R386-T422 WeakPolarHBondContact CB-O 3.29Å; R386-T422 PolarHBondContact N-O 2.93Å; R386-S424 PolarHBondContact NH1-OG 2.74Å
387	S	79.1	Confident	81.8	Confident	74 Å²	74	59.1 Å²	59.1	52%	0.517	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28	170.4	54.7	0	0	0	0	113.7	E385 L389	E385-S387 PolarHBondContact O-N 3.11Å; E385-S387 PolarHBondContact OE2-OG 3.03Å; S387-L389 VanDerWaalsContact C-N 3.34Å
388	K	71.4	Confident	81	Confident	70 Å²	70	58 Å²	58	30%	0.304	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-84.4	-10.9	176	-60.2	179.1	-171.7	159.4	0	113	F364 E385 R386	F364-K388 HydrophobicContact CD1-CB 4.25Å; E385-K388 HydrophobicContact CB-CD 4.03Å; E385-K388 HydrophobicContact CB-CG 3.98Å; E385-K388 WeakPolarHBondContact O-CB 3.28Å; E385-K388 PolarHBondContact O-N 2.66Å; E385-K388 WeakPolarHBondContact OE1-CE 2.94Å; E385-K388 IonicContact OE1-NZ 2.89Å; E385-K388 PolarHBondContact OE1-NZ 3.37Å; E385-K388 WeakPolarHBondContact OE2-CE 3.36Å; E385-K388 IonicContact OE2-NZ 3.42Å; R386-K388 PolarHBondContact O-N 2.95Å
389	L	67.9	Low	80.5	Confident	21 Å²	21	54.9 Å²	54.9	11%	0.11	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-97.5	0.6	-178.9	-60.7	176.1	0	0	0	113.5	V384 R386 S387 G391 R392 E393 M396	V384-L389 HydrophobicContact CG1-CD1 3.92Å; V384-L389 HydrophobicContact CG1-CD2 3.96Å; V384-L389 HydrophobicContact CG1-CG 4.01Å; R386-L389 WeakPolarHBondContact O-CB 3.22Å; R386-L389 PolarHBondContact O-N 2.62Å; R386-L389 VanDerWaalsContact O-N 3.09Å; S387-L389 VanDerWaalsContact C-N 3.34Å; L389-G391 PolarHBondContact O-N 2.68Å; L389-R392 CarbonylContact O-C 3.59Å; L389-R392 VanDerWaalsContact O-C 3.3Å; L389-R392 WeakPolarHBondContact O-CA 3.35Å; L389-R392 PolarHBondContact O-N 2.93Å; L389-E393 PolarHBondContact O-N 3.43Å; L389-E393 VanDerWaalsContact O-N 3.08Å; L389-M396 HydrophobicContact CD1-CB 4.2Å; L389-M396 HydrophobicContact CD1-CE 3.54Å; L389-M396 HydrophobicContact CD1-CG 4.5Å; L389-M396 HydrophobicContact CD1-SD 3.48Å; L389-M396 WeakPolarHBondContact CD1-SD 3.25Å
390	I	68.7	Low	80.1	Confident	133 Å²	133	55.8 Å²	55.8	68%	0.682	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	118.1	-178.7	-61	175.2	0	0	0	109.7	R392 E393	I390-R392 VanDerWaalsContact C-N 3.34Å; I390-E393 WeakPolarHBondContact CA-OE1 3.19Å
391	G	60.8	Low	79.8	Confident	48 Å²	48	59.2 Å²	59.2	50%	0.495	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	9.2	-172	0	0	0	0	0	114.8	L389 E393	L389-G391 PolarHBondContact O-N 2.68Å; G391-E393 VanDerWaalsContact CA-OE2 3.27Å; G391-E393 WeakPolarHBondContact CA-OE2 3.36Å; G391-E393 VanDerWaalsContact N-CD 3.34Å; G391-E393 PolarHBondContact N-OE1 3.16Å; G391-E393 VanDerWaalsContact N-OE1 3.09Å; G391-E393 PolarHBondContact N-OE2 2.92Å
392	R	65.1	Low	79.5	Confident	69 Å²	69	59.6 Å²	59.6	26%	0.26	31%	0.307	S	S	.	.			trans	-138	14	-179	-70	-175	174	139.8	-1.1	112.9	N208 L389 I390 H394 M395	N208-R392 VanDerWaalsContact OD1-CZ 3.26Å; N208-R392 PolarHBondContact OD1-NH1 3.13Å; N208-R392 PolarHBondContact OD1-NH2 3.39Å; L389-R392 CarbonylContact O-C 3.59Å; L389-R392 VanDerWaalsContact O-C 3.3Å; L389-R392 WeakPolarHBondContact O-CA 3.35Å; L389-R392 PolarHBondContact O-N 2.93Å; I390-R392 VanDerWaalsContact C-N 3.34Å; R392-H394 PolarHBondContact O-N 2.82Å; R392-M395 HydrophobicContact CB-CG 4.28Å; R392-M395 HydrophobicContact CB-SD 4Å; R392-M395 HydrophobicContact CG-SD 3.89Å; R392-M395 VanDerWaalsContact O-CB 3.31Å; R392-M395 WeakPolarHBondContact O-CB 3.48Å; R392-M395 PolarHBondContact O-N 2.92Å
393	E	71.4	Confident	79.3	Confident	108 Å²	108	59.1 Å²	59.1	51%	0.505	31%	0.306	S	S	.	.	H	α-helix	trans	-57.1	-35	-178.6	-59.1	84.4	170.5	0	0	111.1	L389 I390 G391 M395 M396 Q397	L389-E393 PolarHBondContact O-N 3.43Å; L389-E393 VanDerWaalsContact O-N 3.08Å; I390-E393 WeakPolarHBondContact CA-OE1 3.19Å; G391-E393 VanDerWaalsContact CA-OE2 3.27Å; G391-E393 WeakPolarHBondContact CA-OE2 3.36Å; G391-E393 VanDerWaalsContact N-CD 3.34Å; G391-E393 PolarHBondContact N-OE1 3.16Å; G391-E393 VanDerWaalsContact N-OE1 3.09Å; G391-E393 PolarHBondContact N-OE2 2.92Å; E393-M395 VanDerWaalsContact C-N 3.29Å; E393-M395 PolarHBondContact O-N 3.01Å; E393-M396 PolarHBondContact O-N 2.73Å; E393-Q397 PolarHBondContact O-N 2.81Å
394	H	69.8	Low	79.3	Confident	129 Å²	129	61.1 Å²	61.1	60%	0.597	33%	0.332	S	S	*	.	H	α-helix	trans	-60.4	-32.1	173.4	70.5	-90.1	0	0	0	113.7	R392 Q397 N398	R392-H394 PolarHBondContact O-N 2.82Å; H394-Q397 PolarHBondContact O-N 2.78Å; H394-N398 VanDerWaalsContact O-CB 3.22Å; H394-N398 WeakPolarHBondContact O-CB 3.45Å; H394-N398 PolarHBondContact O-N 2.81Å
395	M	71.4	Confident	79.4	Confident	57 Å²	57	64.3 Å²	64.3	28%	0.281	35%	0.354	S	S	.	.	H	α-helix	trans	-67.2	-42.1	177.7	-61.1	-176.9	63.9	0	0	110.8	R392 E393 N398 E399 L499	R392-M395 HydrophobicContact CB-CG 4.28Å; R392-M395 HydrophobicContact CB-SD 4Å; R392-M395 HydrophobicContact CG-SD 3.89Å; R392-M395 VanDerWaalsContact O-CB 3.31Å; R392-M395 WeakPolarHBondContact O-CB 3.48Å; R392-M395 PolarHBondContact O-N 2.92Å; E393-M395 VanDerWaalsContact C-N 3.29Å; E393-M395 PolarHBondContact O-N 3.01Å; M395-N398 PolarHBondContact O-N 2.86Å; M395-E399 PolarHBondContact O-N 2.82Å; M395-L499 HydrophobicContact CE-CD2 3.94Å
396	M	79.2	Confident	79.8	Confident	17 Å²	17	61 Å²	61	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-44.6	174.4	170	159.7	-78.1	0	0	111.6	V384 L389 E393 N398 E399 L400 S424 L426	V384-M396 HydrophobicContact CB-CE 3.75Å; V384-M396 HydrophobicContact CG1-CE 3.93Å; V384-M396 HydrophobicContact CG2-CE 3.75Å; L389-M396 HydrophobicContact CD1-CB 4.2Å; L389-M396 HydrophobicContact CD1-CE 3.54Å; L389-M396 HydrophobicContact CD1-CG 4.5Å; L389-M396 HydrophobicContact CD1-SD 3.48Å; L389-M396 WeakPolarHBondContact CD1-SD 3.25Å; E393-M396 PolarHBondContact O-N 2.73Å; M396-N398 VanDerWaalsContact C-N 3.25Å; M396-N398 PolarHBondContact O-N 3.15Å; M396-E399 PolarHBondContact O-N 3.46Å; M396-L400 HydrophobicContact CG-CD1 3.84Å; M396-L400 HydrophobicContact CG-CG 4.32Å; M396-L400 WeakPolarHBondContact O-CB 3.14Å; M396-L400 VanDerWaalsContact O-CG 3.29Å; M396-L400 WeakPolarHBondContact O-CG 3.1Å; M396-L400 PolarHBondContact O-N 2.79Å; M396-S424 WeakPolarHBondContact SD-CB 3.36Å; M396-S424 PolarHBondContact SD-OG 2.98Å; M396-L426 HydrophobicContact CE-CD1 4.16Å
397	Q	79.4	Confident	80.4	Confident	129 Å²	129	60.3 Å²	60.3	60%	0.603	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-37.1	177.9	-169.3	61.8	27.6	0	0	111.6	E393 H394 S401	E393-Q397 PolarHBondContact O-N 2.81Å; H394-Q397 PolarHBondContact O-N 2.78Å; Q397-S401 VanDerWaalsContact O-CB 3.22Å; Q397-S401 WeakPolarHBondContact O-CB 3.49Å; Q397-S401 PolarHBondContact O-N 3.36Å
398	N	78.6	Confident	81.3	Confident	55 Å²	55	58.6 Å²	58.6	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-67.3	-46.8	172.8	169.9	87	0	0	0	112.2	H394 M395 M396 L400 S401 L402 A500	H394-N398 VanDerWaalsContact O-CB 3.22Å; H394-N398 WeakPolarHBondContact O-CB 3.45Å; H394-N398 PolarHBondContact O-N 2.81Å; M395-N398 PolarHBondContact O-N 2.86Å; M396-N398 VanDerWaalsContact C-N 3.25Å; M396-N398 PolarHBondContact O-N 3.15Å; N398-L400 VanDerWaalsContact C-N 3.31Å; N398-L400 PolarHBondContact O-N 3.35Å; N398-S401 PolarHBondContact O-N 2.91Å; N398-L402 WeakPolarHBondContact ND2-CD1 3.47Å; N398-L402 WeakPolarHBondContact O-CB 3.44Å; N398-L402 VanDerWaalsContact O-CG 3.25Å; N398-L402 WeakPolarHBondContact O-CG 3.01Å; N398-L402 PolarHBondContact O-N 2.86Å; N398-A500 PolarHBondContact ND2-O 2.82Å
399	E	86.9	Confident	82.5	Confident	13 Å²	13	58.9 Å²	58.9	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-45.7	175.4	-175.6	-177.8	167.2	0	0	111.1	K382 M395 M396 L403 L426 F497 G498	K382-E399 IonicContact NZ-OE1 2.67Å; K382-E399 PolarHBondContact NZ-OE1 3.24Å; K382-E399 IonicContact NZ-OE2 3.11Å; K382-E399 PolarHBondContact NZ-OE2 2.8Å; M395-E399 PolarHBondContact O-N 2.82Å; M396-E399 PolarHBondContact O-N 3.46Å; E399-L403 HydrophobicContact CG-CD1 3.83Å; E399-L403 HydrophobicContact CG-CG 4.41Å; E399-L403 VanDerWaalsContact O-CB 3.32Å; E399-L403 WeakPolarHBondContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CG 3.44Å; E399-L403 PolarHBondContact O-N 2.92Å; E399-L426 HydrophobicContact CG-CD2 4.36Å; E399-F497 HydrophobicContact CG-CB 4.48Å; E399-G498 WeakPolarHBondContact OE2-CA 3.39Å
400	L	88.9	Confident	83.9	Confident	19 Å²	19	58.8 Å²	58.8	10%	0.099	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.8	-70.2	171.5	0	0	0	112.5	M396 N398 L402 G404 L414 H417 L426	M396-L400 HydrophobicContact CG-CD1 3.84Å; M396-L400 HydrophobicContact CG-CG 4.32Å; M396-L400 WeakPolarHBondContact O-CB 3.14Å; M396-L400 VanDerWaalsContact O-CG 3.29Å; M396-L400 WeakPolarHBondContact O-CG 3.1Å; M396-L400 PolarHBondContact O-N 2.79Å; N398-L400 VanDerWaalsContact C-N 3.31Å; N398-L400 PolarHBondContact O-N 3.35Å; L400-L402 VanDerWaalsContact C-N 3.34Å; L400-L402 PolarHBondContact O-N 3.34Å; L400-G404 PolarHBondContact O-N 3.49Å; L400-L414 HydrophobicContact CD2-CD2 4.34Å; L400-H417 HydrophobicContact CD2-CB 3.7Å; L400-L426 HydrophobicContact CD2-CD1 4.06Å; L400-L426 HydrophobicContact CD2-CD2 3.82Å; L400-L426 HydrophobicContact CD2-CG 3.68Å
401	S	90.4	Very high	85.3	Confident	81 Å²	81	52.6 Å²	52.6	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-66.6	-35.4	-179.9	-170.1	0	0	0	0	112.5	Q397 N398 S405	Q397-S401 VanDerWaalsContact O-CB 3.22Å; Q397-S401 WeakPolarHBondContact O-CB 3.49Å; Q397-S401 PolarHBondContact O-N 3.36Å; N398-S401 PolarHBondContact O-N 2.91Å; S401-S405 PolarHBondContact O-OG 3.49Å
402	L	91.4	Very high	87	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.042	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-61	173.9	-70.6	170.9	0	0	0	109.8	N398 L400 G404 S405 L406 I470 A500 V502	N398-L402 WeakPolarHBondContact ND2-CD1 3.47Å; N398-L402 WeakPolarHBondContact O-CB 3.44Å; N398-L402 VanDerWaalsContact O-CG 3.25Å; N398-L402 WeakPolarHBondContact O-CG 3.01Å; N398-L402 PolarHBondContact O-N 2.86Å; L400-L402 VanDerWaalsContact C-N 3.34Å; L400-L402 PolarHBondContact O-N 3.34Å; L402-G404 VanDerWaalsContact C-N 3.25Å; L402-G404 PolarHBondContact O-N 2.72Å; L402-S405 WeakPolarHBondContact O-CA 3.25Å; L402-S405 PolarHBondContact O-N 3.42Å; L402-S405 PolarHBondContact O-OG 3.3Å; L402-L406 WeakPolarHBondContact O-CG 3.34Å; L402-L406 PolarHBondContact O-N 2.77Å; L402-I470 HydrophobicContact CD2-CD1 3.73Å; L402-I470 HydrophobicContact CD2-CG1 3.83Å; L402-I470 HydrophobicContact CD2-CG2 4.26Å; L402-A500 HydrophobicContact CD1-CB 3.86Å; L402-A500 WeakPolarHBondContact CD1-O 3.46Å; L402-V502 HydrophobicContact CD2-CG2 4Å
403	L	92	Very high	88.5	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-32.9	-176.5	-72.7	177	0	0	0	113.6	E399 S405 L406 L414 L426 M428 F497	E399-L403 HydrophobicContact CG-CD1 3.83Å; E399-L403 HydrophobicContact CG-CG 4.41Å; E399-L403 VanDerWaalsContact O-CB 3.32Å; E399-L403 WeakPolarHBondContact O-CB 3.29Å; E399-L403 WeakPolarHBondContact O-CG 3.44Å; E399-L403 PolarHBondContact O-N 2.92Å; L403-S405 PolarHBondContact O-N 2.85Å; L403-L406 PolarHBondContact O-N 3.08Å; L403-L414 HydrophobicContact CB-CB 3.94Å; L403-L414 HydrophobicContact CB-CD2 3.99Å; L403-L426 HydrophobicContact CD1-CD2 4.28Å; L403-M428 HydrophobicContact CD1-CE 3.81Å; L403-F497 HydrophobicContact CD1-CB 4.47Å; L403-F497 HydrophobicContact CD2-CB 3.85Å; L403-F497 HydrophobicContact CD2-CD1 4.45Å; L403-F497 HydrophobicContact CD2-CD2 3.64Å; L403-F497 HydrophobicContact CD2-CE2 4.35Å; L403-F497 HydrophobicContact CD2-CG 3.71Å; L403-F497 HydrophobicContact CG-CB 4.01Å; L403-F497 HydrophobicContact CG-CG 4.37Å
404	G	92.8	Very high	89.7	Confident	63 Å²	63	49.6 Å²	49.6	65%	0.649	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.1	173.9	0	0	0	0	0	114.7	L400 L402	L400-G404 PolarHBondContact O-N 3.49Å; L402-G404 VanDerWaalsContact C-N 3.25Å; L402-G404 PolarHBondContact O-N 2.72Å
405	S	92.8	Very high	90.9	Very high	72 Å²	72	45.7 Å²	45.7	50%	0.503	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-12.5	177.2	74.2	0	0	0	0	114.3	S401 L402 L403	S401-S405 PolarHBondContact O-OG 3.49Å; L402-S405 WeakPolarHBondContact O-CA 3.25Å; L402-S405 PolarHBondContact O-N 3.42Å; L402-S405 PolarHBondContact O-OG 3.3Å; L403-S405 PolarHBondContact O-N 2.85Å
406	L	95.4	Very high	92	Very high	8 Å²	8	44.4 Å²	44.4	4%	0.042	26%	0.262	C	S	.	.			trans	-96.2	126.5	-174.1	-64.4	172.5	0	0	0	111.5	L402 L403 Y464 I465 I470 F497	L402-L406 WeakPolarHBondContact O-CG 3.34Å; L402-L406 PolarHBondContact O-N 2.77Å; L403-L406 PolarHBondContact O-N 3.08Å; L406-Y464 HydrophobicContact CB-CE1 4.42Å; L406-Y464 HydrophobicContact CD2-CD1 4.17Å; L406-Y464 HydrophobicContact CD2-CE1 3.63Å; L406-I465 HydrophobicContact CD1-CG2 4.36Å; L406-I465 HydrophobicContact CD2-CG2 3.95Å; L406-I470 HydrophobicContact CD2-CD1 4.01Å; L406-F497 HydrophobicContact CD1-CD1 3.78Å; L406-F497 HydrophobicContact CD1-CE1 3.39Å; L406-F497 HydrophobicContact CD1-CZ 3.93Å
407	S	95.6	Very high	92.7	Very high	85 Å²	85	46.7 Å²	46.7	59%	0.594	27%	0.272	S	S	*	.			trans	-141.8	99.8	174.7	-172.4	0	0	0	0	109.7	Y464	S407-Y464 PolarHBondContact N-OH 3.01Å; S407-Y464 WeakPolarHBondContact O-CE2 3.44Å; S407-Y464 VanDerWaalsContact O-CZ 3.25Å; S407-Y464 PolarHBondContact O-OH 3.32Å
408	H	97.3	Very high	93.4	Very high	38 Å²	38	41.9 Å²	41.9	18%	0.176	25%	0.25	C	C	.	.			trans	-150.7	136.4	-175.3	-174.8	-104.9	0	0	0	110	R410 I411 E460 Y464	H408-R410 PolarHBondContact ND1-N 2.78Å; H408-R410 PolarHBondContact O-N 3.28Å; H408-R410 VanDerWaalsContact O-N 3.15Å; H408-I411 HydrophobicContact CB-CB 4.23Å; H408-I411 HydrophobicContact CB-CD1 3.88Å; H408-I411 HydrophobicContact CB-CG1 4.05Å; H408-I411 PolarHBondContact O-N 3.38Å; H408-E460 VanDerWaalsContact CE1-C 3.43Å; H408-E460 PolarHBondContact CE1-O 2.89Å; H408-Y464 HydrophobicContact CB-CD1 3.8Å; H408-Y464 HydrophobicContact CB-CD2 3.93Å; H408-Y464 HydrophobicContact CB-CE1 3.9Å; H408-Y464 HydrophobicContact CB-CE2 4Å; H408-Y464 HydrophobicContact CB-CG 3.82Å; H408-Y464 AromaticContact CD2-CD2 3.43Å; H408-Y464 VanDerWaalsContact CD2-CD2 3.43Å; H408-Y464 WeakPolarHBondContact CD2-CD2 3.48Å; H408-Y464 AromaticContact CD2-CG 3.69Å; H408-Y464 AromaticContact CG-CD2 3.84Å; H408-Y464 AromaticContact CG-CG 3.72Å
409	P	96.1	Very high	94	Very high	76 Å²	76	42.6 Å²	42.6	49%	0.494	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.9	-175.2	20.9	-34.8	0	0	0	114.2	K493	P409-K493 WeakPolarHBondContact O-CE 3.34Å; P409-K493 PolarHBondContact O-NZ 3.07Å
410	R	97.4	Very high	94.2	Very high	19 Å²	19	42.2 Å²	42.2	7%	0.072	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	15.6	179.2	-50.1	-64.2	89.8	-134	7.4	114.1	H408 D457 E460 A461 E483 L492 K493 L494	H408-R410 PolarHBondContact ND1-N 2.78Å; H408-R410 PolarHBondContact O-N 3.28Å; H408-R410 VanDerWaalsContact O-N 3.15Å; R410-D457 WeakPolarHBondContact CB-O 3.39Å; R410-D457 HydrophobicContact CG-CB 4.42Å; R410-D457 WeakPolarHBondContact CG-O 3.49Å; R410-E460 HydrophobicContact CG-CB 3.92Å; R410-E460 WeakPolarHBondContact CG-OE2 3.39Å; R410-A461 HydrophobicContact CB-CB 3.91Å; R410-A461 WeakPolarHBondContact O-CB 3.47Å; R410-E483 IonicContact CZ-OE2 2.87Å; R410-E483 IonicContact NH1-OE2 3Å; R410-E483 PolarHBondContact NH1-OE2 2.65Å; R410-E483 IonicContact NH2-OE2 2.65Å; R410-E483 PolarHBondContact NH2-OE2 2.7Å; R410-L492 WeakPolarHBondContact CD-O 3.27Å; R410-L492 PolarHBondContact NH1-O 3.01Å; R410-K493 CarbonylContact O-C 3.3Å; R410-K493 WeakPolarHBondContact O-CA 3.32Å; R410-L494 PolarHBondContact O-N 2.88Å
411	I	98	Very high	94.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.015	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-122.2	143.5	174.6	-63.1	177.8	0	0	0	108.7	H408 R413 E429 A461 Y464 I465 F497	H408-I411 HydrophobicContact CB-CB 4.23Å; H408-I411 HydrophobicContact CB-CD1 3.88Å; H408-I411 HydrophobicContact CB-CG1 4.05Å; H408-I411 PolarHBondContact O-N 3.38Å; I411-R413 PolarHBondContact O-N 3.19Å; I411-E429 VanDerWaalsContact O-OE1 3.07Å; I411-A461 HydrophobicContact CG1-CB 4.01Å; I411-Y464 HydrophobicContact CD1-CD1 3.78Å; I411-Y464 HydrophobicContact CD1-CE1 4.35Å; I411-I465 HydrophobicContact CD1-CG2 3.63Å; I411-F497 HydrophobicContact CD1-CZ 4.29Å; I411-F497 HydrophobicContact CG2-CE2 3.77Å; I411-F497 HydrophobicContact CG2-CZ 3.89Å
412	V	96.8	Very high	94	Very high	10 Å²	10	52 Å²	52	6%	0.061	28%	0.282	C	S	.	.			trans	-70.4	110.4	175.7	176.4	0	0	0	0	109.9	M428 E429 V431 L481 K493 L494	V412-M428 HydrophobicContact CG1-CB 4.05Å; V412-M428 HydrophobicContact CG1-SD 4.28Å; V412-E429 WeakPolarHBondContact CA-OE1 3.41Å; V412-E429 HydrophobicContact CG1-CG 4.04Å; V412-V431 HydrophobicContact CG2-CG2 4.24Å; V412-L481 HydrophobicContact CG2-CD1 3.94Å; V412-K493 HydrophobicContact CG2-CB 4.04Å; V412-L494 WeakPolarHBondContact CG2-O 3.18Å; V412-L494 PolarHBondContact N-O 3.47Å
413	R	96.2	Very high	94	Very high	130 Å²	130	54.2 Å²	54.2	49%	0.491	29%	0.292	S	S	.	.			trans	-73.7	131.8	-176.9	-164	174.7	83.3	86.6	-14.4	112.7	I411 L415 M428 E429	I411-R413 PolarHBondContact O-N 3.19Å; R413-L415 VanDerWaalsContact CZ-CD2 3.45Å; R413-M428 CarbonylContact O-C 3.58Å; R413-M428 WeakPolarHBondContact O-CA 3.11Å; R413-E429 PolarHBondContact N-OE1 2.9Å; R413-E429 PolarHBondContact O-N 2.92Å
414	L	96.4	Very high	94	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	130	163.9	-174.6	72.3	0	0	0	109.9	L400 L403 A416 L426 M428	L400-L414 HydrophobicContact CD2-CD2 4.34Å; L403-L414 HydrophobicContact CB-CB 3.94Å; L403-L414 HydrophobicContact CB-CD2 3.99Å; L414-A416 WeakPolarHBondContact CD1-O 3.33Å; L414-L426 HydrophobicContact CD1-CB 3.91Å; L414-L426 HydrophobicContact CD1-CD2 4.42Å; L414-L426 HydrophobicContact CD1-CG 4.21Å; L414-M428 HydrophobicContact CD1-CG 4.18Å
415	L	95.3	Very high	94.1	Very high	48 Å²	48	51.1 Å²	51.1	25%	0.251	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-42.9	-178.4	-51.4	-178.8	0	0	0	111.5	V379 R413 V427 M428	V379-L415 HydrophobicContact CB-CD1 4.24Å; V379-L415 HydrophobicContact CG1-CD1 3.57Å; R413-L415 VanDerWaalsContact CZ-CD2 3.45Å; L415-V427 WeakPolarHBondContact CA-O 3.34Å; L415-V427 HydrophobicContact CB-CG1 4.33Å; L415-V427 WeakPolarHBondContact CB-O 3.43Å; L415-V427 HydrophobicContact CD1-CG1 4.44Å; L415-V427 PolarHBondContact N-O 3.27Å; L415-M428 WeakPolarHBondContact CD1-O 3.39Å
416	A	94.5	Very high	94.3	Very high	30 Å²	30	47.7 Å²	47.7	25%	0.248	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	162.3	176.9	0	0	0	0	0	110.9	L414 V427	L414-A416 WeakPolarHBondContact CD1-O 3.33Å; A416-V427 HydrophobicContact CB-CB 4.2Å; A416-V427 HydrophobicContact CB-CG2 4.42Å; A416-V427 PolarHBondContact N-O 3.49Å; A416-V427 PolarHBondContact O-N 3.1Å
417	H	94.4	Very high	94.3	Very high	65 Å²	65	47.3 Å²	47.3	30%	0.301	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.4	169.3	161.3	-105.4	0	0	0	109.8	L400 Y425	L400-H417 HydrophobicContact CD2-CB 3.7Å; H417-Y425 WeakPolarHBondContact CA-O 3.48Å
418	H	93.9	Very high	94.4	Very high	28 Å²	28	44.1 Å²	44.1	13%	0.13	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152.9	175.5	-53.4	-58.5	0	0	0	110	L337 L344 I349 Y353 Y425	L337-H418 WeakPolarHBondContact CD1-CE1 3.35Å; L337-H418 VanDerWaalsContact CD1-ND1 3.34Å; L337-H418 WeakPolarHBondContact CD1-ND1 3.46Å; L344-H418 HydrophobicContact CD1-CB 4.23Å; I349-H418 HydrophobicContact CD1-CB 3.6Å; Y353-H418 AromaticContact CE2-CD2 3.66Å; Y353-H418 AromaticContact CE2-NE2 3.49Å; Y353-H418 WeakPolarHBondContact CE2-NE2 3.35Å; Y353-H418 AromaticContact CZ-NE2 3.6Å; Y353-H418 PolarHBondContact OH-NE2 2.97Å; H418-Y425 PolarHBondContact N-O 3.48Å; H418-Y425 PolarHBondContact O-N 3.5Å
419	H	91.5	Very high	94.3	Very high	70 Å²	70	44.5 Å²	44.5	32%	0.324	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.8	174.5	70	-82	0	0	0	111.9
420	T	91.3	Very high	94.3	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.031	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-109.5	178	169.4	67.8	0	0	0	0	108.9	L344 I349 R386 T422 H423 Y425	L344-T420 HydrophobicContact CB-CG2 4.3Å; L344-T420 WeakPolarHBondContact O-CA 3.4Å; L344-T420 VanDerWaalsContact O-CB 3.23Å; L344-T420 WeakPolarHBondContact O-CB 3.39Å; L344-T420 VanDerWaalsContact O-CG2 3.31Å; L344-T420 WeakPolarHBondContact O-CG2 3.34Å; I349-T420 HydrophobicContact CG1-CG2 4.19Å; R386-T420 VanDerWaalsContact CD-O 3.26Å; R386-T420 WeakPolarHBondContact CD-O 3.16Å; T420-T422 PolarHBondContact O-N 2.95Å; T420-T422 VanDerWaalsContact O-N 3.14Å; T420-T422 PolarHBondContact OG1-N 3.41Å; T420-H423 PolarHBondContact N-O 2.81Å; T420-H423 PolarHBondContact OG1-N 3Å; T420-H423 VanDerWaalsContact OG1-N 3.13Å; T420-H423 PolarHBondContact OG1-O 2.86Å; T420-Y425 HydrophobicContact CG2-CE2 3.57Å
421	R	87.8	Confident	94.2	Very high	220 Å²	220	42.7 Å²	42.7	83%	0.83	20%	0.201	S	C	*	.	S	Bend	trans	-60	-21.8	175	-65.7	-176.7	-179.2	176.9	0.1	113.9
422	T	87.5	Confident	93.8	Very high	85 Å²	85	46.8 Å²	46.8	52%	0.521	23%	0.229	S	C	.	.	S	Bend	trans	-118.1	-23.5	-172.3	53.5	0	0	0	0	114.4	R386 T420	R386-T422 WeakPolarHBondContact CB-O 3.29Å; R386-T422 PolarHBondContact N-O 2.93Å; T420-T422 PolarHBondContact O-N 2.95Å; T420-T422 VanDerWaalsContact O-N 3.14Å; T420-T422 PolarHBondContact OG1-N 3.41Å
423	H	91.9	Very high	93.5	Very high	55 Å²	55	47.1 Å²	47.1	26%	0.255	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.2	-175.7	-62.2	82.1	0	0	0	111.9	I383 V384 T420 Y425	I383-H423 HydrophobicContact CG2-CB 4.32Å; V384-H423 CarbonylContact O-C 3.57Å; V384-H423 WeakPolarHBondContact O-CA 3.36Å; T420-H423 PolarHBondContact N-O 2.81Å; T420-H423 PolarHBondContact OG1-N 3Å; T420-H423 VanDerWaalsContact OG1-N 3.13Å; T420-H423 PolarHBondContact OG1-O 2.86Å; H423-Y425 HydrophobicContact CB-CD2 4.33Å; H423-Y425 HydrophobicContact CB-CE1 4.46Å; H423-Y425 HydrophobicContact CB-CE2 3.51Å
424	S	91.8	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	146.3	164	-53	0	0	0	0	109.3	V384 R386 M396	V384-S424 PolarHBondContact N-O 3.19Å; V384-S424 PolarHBondContact O-N 2.75Å; R386-S424 PolarHBondContact NH1-OG 2.74Å; M396-S424 WeakPolarHBondContact SD-CB 3.36Å; M396-S424 PolarHBondContact SD-OG 2.98Å
425	Y	95	Very high	93.1	Very high	5 Å²	5	43 Å²	43	2%	0.02	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	108.8	-169	-53.9	-106.7	0	0	0	108.1	L346 I349 M381 I383 H417 H418 T420 H423	L346-Y425 HydrophobicContact CD1-CE1 4.32Å; I349-Y425 HydrophobicContact CG1-CD2 4.4Å; I349-Y425 HydrophobicContact CG1-CE1 4.44Å; I349-Y425 HydrophobicContact CG1-CE2 4.25Å; I349-Y425 HydrophobicContact CG2-CD1 4.17Å; I349-Y425 HydrophobicContact CG2-CE1 4.32Å; M381-Y425 HydrophobicContact CG-CD1 4.47Å; M381-Y425 HydrophobicContact SD-CD1 3.73Å; I383-Y425 HydrophobicContact CB-CD1 4.46Å; I383-Y425 HydrophobicContact CD1-CD1 4.27Å; I383-Y425 HydrophobicContact CD1-CE1 4.36Å; I383-Y425 HydrophobicContact CG1-CD1 3.94Å; I383-Y425 HydrophobicContact CG1-CE1 4.39Å; I383-Y425 HydrophobicContact CG2-CD1 3.96Å; I383-Y425 HydrophobicContact CG2-CE1 3.85Å; H417-Y425 WeakPolarHBondContact CA-O 3.48Å; H418-Y425 PolarHBondContact N-O 3.48Å; H418-Y425 PolarHBondContact O-N 3.5Å; T420-Y425 HydrophobicContact CG2-CE2 3.57Å; H423-Y425 HydrophobicContact CB-CD2 4.33Å; H423-Y425 HydrophobicContact CB-CE1 4.46Å; H423-Y425 HydrophobicContact CB-CE2 3.51Å
426	L	95.3	Very high	93	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	112.8	175.7	-75.2	71.1	0	0	0	107.7	M381 K382 M396 E399 L400 L403 L414 M428	M381-L426 WeakPolarHBondContact CA-O 3.32Å; K382-L426 HydrophobicContact CB-CB 4.26Å; K382-L426 PolarHBondContact N-O 2.89Å; K382-L426 PolarHBondContact O-N 3.2Å; M396-L426 HydrophobicContact CE-CD1 4.16Å; E399-L426 HydrophobicContact CG-CD2 4.36Å; L400-L426 HydrophobicContact CD2-CD1 4.06Å; L400-L426 HydrophobicContact CD2-CD2 3.82Å; L400-L426 HydrophobicContact CD2-CG 3.68Å; L403-L426 HydrophobicContact CD1-CD2 4.28Å; L414-L426 HydrophobicContact CD1-CB 3.91Å; L414-L426 HydrophobicContact CD1-CD2 4.42Å; L414-L426 HydrophobicContact CD1-CG 4.21Å; L426-M428 HydrophobicContact CB-CE 3.74Å; L426-M428 HydrophobicContact CD2-CE 3.74Å; L426-M428 HydrophobicContact CG-CE 4.41Å
427	V	96.9	Very high	92.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.2	178.5	-173.2	0	0	0	0	107.8	Y353 V379 A380 M381 L415 A416	Y353-V427 HydrophobicContact CE1-CG1 3.86Å; Y353-V427 HydrophobicContact CE1-CG2 4.07Å; Y353-V427 HydrophobicContact CE2-CG2 4.4Å; V379-V427 HydrophobicContact CB-CG1 3.96Å; V379-V427 HydrophobicContact CG1-CG1 4.3Å; V379-V427 HydrophobicContact CG2-CG1 3.81Å; A380-V427 CarbonylContact O-C 3.44Å; A380-V427 WeakPolarHBondContact O-CA 3.23Å; M381-V427 HydrophobicContact CE-CG2 4.25Å; L415-V427 WeakPolarHBondContact CA-O 3.34Å; L415-V427 HydrophobicContact CB-CG1 4.33Å; L415-V427 WeakPolarHBondContact CB-O 3.43Å; L415-V427 HydrophobicContact CD1-CG1 4.44Å; L415-V427 PolarHBondContact N-O 3.27Å; A416-V427 HydrophobicContact CB-CB 4.2Å; A416-V427 HydrophobicContact CB-CG2 4.42Å; A416-V427 PolarHBondContact N-O 3.49Å; A416-V427 PolarHBondContact O-N 3.1Å
428	M	97.1	Very high	92.7	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.089	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	163.9	-171.9	-59.9	178.9	178.5	0	0	110.5	V379 A380 K382 L403 V412 R413 L414 L415 L426	V379-M428 WeakPolarHBondContact CB-O 3.39Å; A380-M428 HydrophobicContact CB-CB 4.34Å; A380-M428 PolarHBondContact N-O 3.46Å; A380-M428 PolarHBondContact O-N 3.42Å; K382-M428 HydrophobicContact CB-CE 4.15Å; K382-M428 HydrophobicContact CB-SD 4.48Å; K382-M428 HydrophobicContact CD-CE 3.89Å; L403-M428 HydrophobicContact CD1-CE 3.81Å; V412-M428 HydrophobicContact CG1-CB 4.05Å; V412-M428 HydrophobicContact CG1-SD 4.28Å; R413-M428 CarbonylContact O-C 3.58Å; R413-M428 WeakPolarHBondContact O-CA 3.11Å; L414-M428 HydrophobicContact CD1-CG 4.18Å; L415-M428 WeakPolarHBondContact CD1-O 3.39Å; L426-M428 HydrophobicContact CB-CE 3.74Å; L426-M428 HydrophobicContact CD2-CE 3.74Å; L426-M428 HydrophobicContact CG-CE 4.41Å
429	E	95.8	Very high	92.6	Very high	46 Å²	46	46.2 Å²	46.2	22%	0.215	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	143.3	169.5	70.4	178.5	132.7	0	0	111.6	I411 V412 R413 V431 K493	I411-E429 VanDerWaalsContact O-OE1 3.07Å; V412-E429 WeakPolarHBondContact CA-OE1 3.41Å; V412-E429 HydrophobicContact CG1-CG 4.04Å; R413-E429 PolarHBondContact N-OE1 2.9Å; R413-E429 PolarHBondContact O-N 2.92Å; E429-V431 HydrophobicContact CG-CG2 4.3Å; E429-K493 IonicContact OE1-NZ 3.92Å; E429-K493 PolarHBondContact OE1-NZ 3.25Å; E429-K493 VanDerWaalsContact OE2-CE 3.3Å; E429-K493 WeakPolarHBondContact OE2-CE 3.17Å; E429-K493 IonicContact OE2-NZ 2.91Å; E429-K493 PolarHBondContact OE2-NZ 3.25Å
430	L	95.9	Very high	92.5	Very high	37 Å²	37	43.9 Å²	43.9	19%	0.194	23%	0.229	C	C	.	.			trans	-88.3	113.1	176	-175.4	69.8	0	0	0	110.6	I359 E369 P378 A380	I359-L430 HydrophobicContact CD1-CD1 3.63Å; E369-L430 HydrophobicContact CG-CD1 4.38Å; E369-L430 HydrophobicContact CG-CD2 3.91Å; P378-L430 HydrophobicContact CB-CD2 3.85Å; A380-L430 HydrophobicContact CB-CD1 4.09Å
431	V	94.8	Very high	92.5	Very high	20 Å²	20	49.2 Å²	49.2	12%	0.121	26%	0.257	C	S	.	.			trans	-94.9	106.2	171.9	-173.5	0	0	0	0	108.8	V412 E429 G433 L481 I482 E483 K493	V412-V431 HydrophobicContact CG2-CG2 4.24Å; E429-V431 HydrophobicContact CG-CG2 4.3Å; V431-G433 PolarHBondContact O-N 2.89Å; V431-L481 HydrophobicContact CB-CB 3.75Å; V431-L481 HydrophobicContact CB-CD1 3.92Å; V431-L481 HydrophobicContact CG1-CB 3.54Å; V431-L481 HydrophobicContact CG2-CB 4.25Å; V431-L481 HydrophobicContact CG2-CD1 4.14Å; V431-I482 VanDerWaalsContact CG1-C 3.45Å; V431-I482 WeakPolarHBondContact CG1-O 3.5Å; V431-E483 HydrophobicContact CG1-CB 4.36Å; V431-K493 HydrophobicContact CG1-CD 4.4Å; V431-K493 HydrophobicContact CG2-CB 4.35Å; V431-K493 HydrophobicContact CG2-CD 3.52Å
432	S	90	Very high	92.5	Very high	89 Å²	89	45 Å²	45	62%	0.622	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	8.5	-164.5	60.4	0	0	0	0	115.7	K484	S432-K484 PolarHBondContact O-NZ 2.95Å
433	G	89.2	Confident	92.6	Very high	16 Å²	16	46.2 Å²	46.2	17%	0.165	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-17.7	-178.6	0	0	0	0	0	116	V431 I482 K484	V431-G433 PolarHBondContact O-N 2.89Å; G433-I482 WeakPolarHBondContact CA-O 3.35Å; G433-I482 PolarHBondContact N-O 3.02Å; G433-K484 VanDerWaalsContact CA-CE 3.49Å; G433-K484 PolarHBondContact O-NZ 3.18Å
434	G	91.6	Very high	92.5	Very high	27 Å²	27	45.4 Å²	45.4	28%	0.278	26%	0.256	S	S	.	.			trans	95.2	-174.1	-160.7	0	0	0	0	0	110.8	I482	G434-I482 PolarHBondContact O-N 2.78Å
435	D	92.7	Very high	92.3	Very high	37 Å²	37	50 Å²	50	20%	0.198	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-99.6	171.8	171.4	68.8	50.2	0	0	0	112	F437 E438 A439 L480 L481	D435-F437 VanDerWaalsContact C-N 3.32Å; D435-F437 VanDerWaalsContact OD1-CA 3.29Å; D435-F437 WeakPolarHBondContact OD1-CA 3.47Å; D435-F437 VanDerWaalsContact OD1-CB 3.23Å; D435-F437 WeakPolarHBondContact OD1-CB 3.43Å; D435-F437 PolarHBondContact OD1-N 2.94Å; D435-E438 PolarHBondContact OD1-N 3.08Å; D435-A439 PolarHBondContact O-N 2.65Å; D435-L480 CarbonylContact C-O 3.53Å; D435-L481 HydrophobicContact CB-CD2 3.9Å
436	L	94.3	Very high	92.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-77.1	-18.5	179.9	-172.9	62.4	0	0	0	112.6	A439 I440 F446 M454 P477 L480 I482 L492 I539 L543	L436-A439 HydrophobicContact CD1-CB 4.5Å; L436-I440 HydrophobicContact CG-CD1 3.98Å; L436-I440 HydrophobicContact CG-CG1 4.35Å; L436-I440 WeakPolarHBondContact O-CB 3.36Å; L436-I440 WeakPolarHBondContact O-CD1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.2Å; L436-I440 PolarHBondContact O-N 3.29Å; L436-F446 HydrophobicContact CD1-CZ 4.1Å; L436-M454 HydrophobicContact CD1-CE 3.84Å; L436-M454 HydrophobicContact CD1-SD 3.72Å; L436-P477 HydrophobicContact CB-CB 3.98Å; L436-P477 WeakPolarHBondContact CB-O 3.23Å; L436-P477 HydrophobicContact CD2-CB 4.41Å; L436-P477 HydrophobicContact CG-CB 4.16Å; L436-P477 PolarHBondContact N-O 2.87Å; L436-L480 HydrophobicContact CB-CB 3.98Å; L436-L480 WeakPolarHBondContact CB-O 3.39Å; L436-L480 HydrophobicContact CD2-CB 4.15Å; L436-L480 HydrophobicContact CD2-CD1 3.82Å; L436-L480 PolarHBondContact N-O 3.28Å; L436-I482 HydrophobicContact CD1-CD1 4.47Å; L436-L492 HydrophobicContact CD1-CD2 4.39Å; L436-L492 HydrophobicContact CD2-CD1 3.91Å; L436-I539 HydrophobicContact CD2-CG2 4.3Å; L436-L543 HydrophobicContact CD1-CD2 4.08Å; L436-L543 HydrophobicContact CD2-CD2 4.26Å; L436-L543 HydrophobicContact CG-CD2 4.39Å
437	F	92.3	Very high	92	Very high	104 Å²	104	53.5 Å²	53.5	46%	0.456	30%	0.299	S	S	.	.	H	α-helix	trans	-70.2	-47.6	175.9	179.9	-87.7	0	0	0	111.2	D435 A439 I440 N441 P477 E478	D435-F437 VanDerWaalsContact C-N 3.32Å; D435-F437 VanDerWaalsContact OD1-CA 3.29Å; D435-F437 WeakPolarHBondContact OD1-CA 3.47Å; D435-F437 VanDerWaalsContact OD1-CB 3.23Å; D435-F437 WeakPolarHBondContact OD1-CB 3.43Å; D435-F437 PolarHBondContact OD1-N 2.94Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 2.79Å; F437-I440 PolarHBondContact O-N 2.95Å; F437-N441 WeakPolarHBondContact O-CB 3.1Å; F437-N441 PolarHBondContact O-N 2.99Å; F437-P477 HydrophobicContact CB-CB 3.99Å; F437-E478 HydrophobicContact CB-CG 3.87Å; F437-E478 HydrophobicContact CD2-CG 4.11Å; F437-E478 HydrophobicContact CG-CG 4.02Å
438	E	89.8	Confident	91.8	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	31%	0.306	S	S	.	.	H	α-helix	trans	-58.3	-45.1	172.3	-67.8	-168.5	140.3	0	0	110.7	D435 I440 N441 D442	D435-E438 PolarHBondContact OD1-N 3.08Å; E438-I440 PolarHBondContact O-N 2.69Å; E438-N441 WeakPolarHBondContact O-CB 3.5Å; E438-N441 PolarHBondContact O-N 3.15Å; E438-N441 VanDerWaalsContact O-N 3.16Å; E438-D442 PolarHBondContact O-N 2.78Å
439	A	91.3	Very high	91.6	Very high	20 Å²	20	55.2 Å²	55.2	17%	0.165	31%	0.308	C	S	.	.	H	α-helix	trans	-66.5	-32.5	179.3	0	0	0	0	0	114.1	D435 L436 F437 K443 F446 I482	D435-A439 PolarHBondContact O-N 2.65Å; L436-A439 HydrophobicContact CD1-CB 4.5Å; F437-A439 VanDerWaalsContact C-N 3.32Å; F437-A439 PolarHBondContact O-N 2.79Å; A439-K443 WeakPolarHBondContact O-CB 3.38Å; A439-K443 PolarHBondContact O-N 2.9Å; A439-F446 HydrophobicContact CB-CZ 4.1Å; A439-I482 HydrophobicContact CB-CD1 3.46Å; A439-I482 VanDerWaalsContact CB-CD1 3.46Å
440	I	90.7	Very high	91.4	Very high	21 Å²	21	54.9 Å²	54.9	11%	0.108	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-43	170.4	-73	162.8	0	0	0	110.5	L436 F437 E438 D442 G444 F446 P477 I542 L543	L436-I440 HydrophobicContact CG-CD1 3.98Å; L436-I440 HydrophobicContact CG-CG1 4.35Å; L436-I440 WeakPolarHBondContact O-CB 3.36Å; L436-I440 WeakPolarHBondContact O-CD1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.2Å; L436-I440 PolarHBondContact O-N 3.29Å; F437-I440 PolarHBondContact O-N 2.95Å; E438-I440 PolarHBondContact O-N 2.69Å; I440-D442 VanDerWaalsContact C-N 3.31Å; I440-D442 PolarHBondContact O-N 3.42Å; I440-G444 VanDerWaalsContact O-CA 3.22Å; I440-G444 WeakPolarHBondContact O-CA 3.47Å; I440-G444 PolarHBondContact O-N 3.2Å; I440-F446 HydrophobicContact CB-CE2 4.47Å; I440-F446 HydrophobicContact CG1-CD2 4.48Å; I440-F446 HydrophobicContact CG1-CE2 3.7Å; I440-P477 HydrophobicContact CD1-CB 3.84Å; I440-P477 HydrophobicContact CD1-CG 3.78Å; I440-I542 HydrophobicContact CD1-CG2 4Å; I440-I542 HydrophobicContact CG2-CG2 4Å; I440-L543 HydrophobicContact CD1-CD2 4.05Å; I440-L543 HydrophobicContact CG1-CD2 4Å
441	N	90.3	Very high	91.3	Very high	117 Å²	117	53.1 Å²	53.1	63%	0.626	30%	0.297	S	S	*	.	H	α-helix	trans	-60.1	-41.7	177.6	177.6	88.4	0	0	0	111.9	F437 E438	F437-N441 WeakPolarHBondContact O-CB 3.1Å; F437-N441 PolarHBondContact O-N 2.99Å; E438-N441 WeakPolarHBondContact O-CB 3.5Å; E438-N441 PolarHBondContact O-N 3.15Å; E438-N441 VanDerWaalsContact O-N 3.16Å
442	D	89.5	Confident	91.3	Very high	131 Å²	131	52.2 Å²	52.2	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-81.4	-39.1	-175	-73.4	7.7	0	0	0	113.5	E438 I440	E438-D442 PolarHBondContact O-N 2.78Å; I440-D442 VanDerWaalsContact C-N 3.31Å; I440-D442 PolarHBondContact O-N 3.42Å
443	K	88.8	Confident	91.4	Very high	111 Å²	111	49.1 Å²	49.1	48%	0.483	27%	0.266	S	S	.	.	H	α-helix	trans	-85.1	-21.7	177.1	-69.7	-171.2	176.7	-173	0	113.7	A439 K445 F446 E450	A439-K443 WeakPolarHBondContact O-CB 3.38Å; A439-K443 PolarHBondContact O-N 2.9Å; K443-K445 PolarHBondContact O-N 2.95Å; K443-F446 HydrophobicContact CB-CE2 4.5Å; K443-F446 HydrophobicContact CD-CD1 4.06Å; K443-F446 HydrophobicContact CD-CE1 3.59Å; K443-F446 HydrophobicContact CD-CE2 4.4Å; K443-F446 HydrophobicContact CD-CZ 3.79Å; K443-E450 IonicContact NZ-OE1 3.52Å; K443-E450 PolarHBondContact NZ-OE1 3.29Å; K443-E450 IonicContact NZ-OE2 2.73Å; K443-E450 PolarHBondContact NZ-OE2 2.53Å
444	G	89.5	Confident	91.7	Very high	38 Å²	38	48.5 Å²	48.5	39%	0.392	26%	0.259	S	S	.	.	S	Bend	trans	72.4	-56.6	-168.5	0	0	0	0	0	113.1	I440 G546	I440-G444 VanDerWaalsContact O-CA 3.22Å; I440-G444 WeakPolarHBondContact O-CA 3.47Å; I440-G444 PolarHBondContact O-N 3.2Å; G444-G546 WeakPolarHBondContact O-CA 3.45Å
445	K	88.6	Confident	92	Very high	98 Å²	98	47.2 Å²	47.2	43%	0.426	25%	0.246	S	C	.	.	S	Bend	trans	-148.3	165.3	175.8	66.4	170	179.9	172.4	0	113	K443 L544	K443-K445 PolarHBondContact O-N 2.95Å; K445-L544 WeakPolarHBondContact CD-O 3.39Å
446	F	91.5	Very high	92.2	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.242	C	C	.	.			trans	-114.1	143.2	-175.3	-70.5	-101.9	0	0	0	111.5	L436 A439 I440 K443 E450 A451 M454 L543	L436-F446 HydrophobicContact CD1-CZ 4.1Å; A439-F446 HydrophobicContact CB-CZ 4.1Å; I440-F446 HydrophobicContact CB-CE2 4.47Å; I440-F446 HydrophobicContact CG1-CD2 4.48Å; I440-F446 HydrophobicContact CG1-CE2 3.7Å; K443-F446 HydrophobicContact CB-CE2 4.5Å; K443-F446 HydrophobicContact CD-CD1 4.06Å; K443-F446 HydrophobicContact CD-CE1 3.59Å; K443-F446 HydrophobicContact CD-CE2 4.4Å; K443-F446 HydrophobicContact CD-CZ 3.79Å; F446-E450 HydrophobicContact CD1-CB 4.4Å; F446-E450 VanDerWaalsContact CD1-CD 3.46Å; F446-E450 HydrophobicContact CD1-CG 3.94Å; F446-E450 WeakPolarHBondContact CE1-OE1 3.42Å; F446-A451 HydrophobicContact CB-CB 4.23Å; F446-M454 HydrophobicContact CD1-CE 3.94Å; F446-M454 HydrophobicContact CD1-SD 3.98Å; F446-M454 HydrophobicContact CE1-CE 3.43Å; F446-M454 VanDerWaalsContact CE1-CE 3.43Å; F446-M454 HydrophobicContact CE1-SD 3.91Å; F446-M454 HydrophobicContact CZ-CE 4.13Å; F446-M454 HydrophobicContact CZ-SD 4.44Å; F446-L543 HydrophobicContact CD2-CB 4.47Å; F446-L543 HydrophobicContact CD2-CD2 3.43Å; F446-L543 VanDerWaalsContact CD2-CD2 3.43Å; F446-L543 HydrophobicContact CE2-CD2 3.66Å; F446-L543 HydrophobicContact CG-CD2 3.99Å; F446-L543 HydrophobicContact CZ-CD2 4.37Å; F446-L543 PolarHBondContact N-O 2.85Å
447	P	91.6	Very high	92.3	Very high	71 Å²	71	46.3 Å²	46.3	46%	0.461	24%	0.242	S	C	.	.			trans	-71.6	149.3	172.4	32.2	-35.4	0	0	0	110.6	P449 E450 A451	P447-P449 VanDerWaalsContact C-CD 3.49Å; P447-P449 VanDerWaalsContact C-N 3.34Å; P447-P449 VanDerWaalsContact O-N 3.13Å; P447-E450 HydrophobicContact CG-CB 3.96Å; P447-E450 PolarHBondContact O-N 2.81Å; P447-A451 PolarHBondContact O-N 2.84Å
448	E	93.5	Very high	92.6	Very high	34 Å²	34	41.5 Å²	41.5	16%	0.159	22%	0.222	C	C	.	.	H	α-helix	trans	-49.3	-41.2	-174.8	-66.7	-172.4	-141.7	0	0	115	E450 A451 G452 L544 I579 S580 W612 M616	E448-E450 VanDerWaalsContact C-N 3.33Å; E448-E450 PolarHBondContact O-N 2.95Å; E448-A451 PolarHBondContact O-N 2.81Å; E448-G452 PolarHBondContact O-N 3.1Å; E448-L544 HydrophobicContact CG-CD2 3.83Å; E448-I579 WeakPolarHBondContact OE1-CA 3.42Å; E448-S580 PolarHBondContact OE1-N 3.13Å; E448-S580 PolarHBondContact OE1-OG 2.96Å; E448-S580 WeakPolarHBondContact OE2-CB 3.4Å; E448-S580 PolarHBondContact OE2-OG 3.43Å; E448-W612 HydrophobicContact CB-CZ2 3.81Å; E448-W612 HydrophobicContact CG-CZ2 4.04Å; E448-W612 PolarHBondContact OE2-NE1 2.87Å; E448-M616 VanDerWaalsContact C-SD 3.58Å; E448-M616 HydrophobicContact CB-CG 4.37Å; E448-M616 HydrophobicContact CB-SD 3.77Å; E448-M616 WeakPolarHBondContact O-CG 3.39Å
449	P	91.2	Very high	93	Very high	21 Å²	21	36 Å²	36	14%	0.136	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-30.8	175.9	-24.9	35.8	0	0	0	115	P447 R453 M616 V619 C620	P447-P449 VanDerWaalsContact C-CD 3.49Å; P447-P449 VanDerWaalsContact C-N 3.34Å; P447-P449 VanDerWaalsContact O-N 3.13Å; P449-R453 PolarHBondContact O-N 2.93Å; P449-M616 HydrophobicContact CB-SD 4.27Å; P449-M616 HydrophobicContact CG-SD 3.82Å; P449-V619 HydrophobicContact CB-CG1 4.12Å; P449-V619 HydrophobicContact CG-CG1 4.05Å; P449-C620 HydrophobicContact CB-CB 4.34Å; P449-C620 WeakPolarHBondContact O-CB 3.42Å; P449-C620 PolarHBondContact O-SG 2.99Å
450	E	91.4	Very high	93.4	Very high	39 Å²	39	37.6 Å²	37.6	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-80.4	-46.1	177	-163	179.5	169.3	0	0	110	K443 F446 P447 E448 G452 R453 M454	K443-E450 IonicContact NZ-OE1 3.52Å; K443-E450 PolarHBondContact NZ-OE1 3.29Å; K443-E450 IonicContact NZ-OE2 2.73Å; K443-E450 PolarHBondContact NZ-OE2 2.53Å; F446-E450 HydrophobicContact CD1-CB 4.4Å; F446-E450 VanDerWaalsContact CD1-CD 3.46Å; F446-E450 HydrophobicContact CD1-CG 3.94Å; F446-E450 WeakPolarHBondContact CE1-OE1 3.42Å; P447-E450 HydrophobicContact CG-CB 3.96Å; P447-E450 PolarHBondContact O-N 2.81Å; E448-E450 VanDerWaalsContact C-N 3.33Å; E448-E450 PolarHBondContact O-N 2.95Å; E450-G452 PolarHBondContact O-N 2.86Å; E450-R453 PolarHBondContact O-N 2.87Å; E450-M454 HydrophobicContact CG-CE 4.29Å; E450-M454 WeakPolarHBondContact O-CG 3.35Å; E450-M454 PolarHBondContact O-N 2.87Å
451	A	94.3	Very high	93.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.9	-40.7	176.5	0	0	0	0	0	112.7	F446 P447 E448 M454 V455 L540 L543 L544 W612	F446-A451 HydrophobicContact CB-CB 4.23Å; P447-A451 PolarHBondContact O-N 2.84Å; E448-A451 PolarHBondContact O-N 2.81Å; A451-M454 WeakPolarHBondContact O-CB 3.43Å; A451-M454 PolarHBondContact O-N 3.12Å; A451-V455 WeakPolarHBondContact O-CG2 3.12Å; A451-V455 PolarHBondContact O-N 3.26Å; A451-L540 HydrophobicContact CB-CD1 4.44Å; A451-L543 HydrophobicContact CB-CB 4.1Å; A451-L543 HydrophobicContact CB-CD1 4.48Å; A451-L544 HydrophobicContact CB-CD2 3.99Å; A451-W612 HydrophobicContact CB-CH2 4.34Å
452	G	94.6	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-33.4	177.5	0	0	0	0	0	113.5	E448 E450 S456 W612	E448-G452 PolarHBondContact O-N 3.1Å; E450-G452 PolarHBondContact O-N 2.86Å; G452-S456 PolarHBondContact O-N 3.17Å; G452-W612 VanDerWaalsContact CA-CZ3 3.5Å
453	R	92.9	Very high	94.6	Very high	24 Å²	24	27 Å²	27	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-43.9	169.4	175.2	173.2	-66.8	-87.3	-9.2	111.7	P449 E450 V455 S456 D457 I489 A617 C620 S621	P449-R453 PolarHBondContact O-N 2.93Å; E450-R453 PolarHBondContact O-N 2.87Å; R453-V455 VanDerWaalsContact C-N 3.31Å; R453-V455 PolarHBondContact O-N 2.91Å; R453-S456 WeakPolarHBondContact O-CB 3.38Å; R453-S456 PolarHBondContact O-N 3.34Å; R453-S456 VanDerWaalsContact O-N 3.13Å; R453-D457 PolarHBondContact O-N 2.98Å; R453-I489 VanDerWaalsContact CD-CG2 3.46Å; R453-A617 PolarHBondContact NH2-O 2.98Å; R453-C620 HydrophobicContact CB-CB 4.4Å; R453-C620 PolarHBondContact NE-SG 2.83Å; R453-S621 PolarHBondContact NH2-OG 3.45Å
454	M	95.4	Very high	95.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-42.4	176	-72.9	-179.7	169.1	0	0	111.6	L436 F446 E450 A451 D457 V458 L492 L543	L436-M454 HydrophobicContact CD1-CE 3.84Å; L436-M454 HydrophobicContact CD1-SD 3.72Å; F446-M454 HydrophobicContact CD1-CE 3.94Å; F446-M454 HydrophobicContact CD1-SD 3.98Å; F446-M454 HydrophobicContact CE1-CE 3.43Å; F446-M454 VanDerWaalsContact CE1-CE 3.43Å; F446-M454 HydrophobicContact CE1-SD 3.91Å; F446-M454 HydrophobicContact CZ-CE 4.13Å; F446-M454 HydrophobicContact CZ-SD 4.44Å; E450-M454 HydrophobicContact CG-CE 4.29Å; E450-M454 WeakPolarHBondContact O-CG 3.35Å; E450-M454 PolarHBondContact O-N 2.87Å; A451-M454 WeakPolarHBondContact O-CB 3.43Å; A451-M454 PolarHBondContact O-N 3.12Å; M454-D457 PolarHBondContact O-N 3.13Å; M454-V458 WeakPolarHBondContact O-CG2 3.4Å; M454-V458 PolarHBondContact O-N 3.19Å; M454-V458 VanDerWaalsContact O-N 3.12Å; M454-L492 HydrophobicContact CB-CD1 3.62Å; M454-L492 HydrophobicContact CB-CG 4.34Å; M454-L492 HydrophobicContact CG-CD1 3.78Å; M454-L492 HydrophobicContact CG-CG 4.06Å; M454-L492 HydrophobicContact SD-CD1 4.46Å; M454-L543 HydrophobicContact CB-CD1 4.11Å; M454-L543 HydrophobicContact SD-CD1 4.27Å; M454-L543 HydrophobicContact SD-CD2 4Å
455	V	97.4	Very high	95.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-39.7	172.9	168.6	0	0	0	0	112.2	A451 R453 V458 S459 L536 L540 L589 I607 V613	A451-V455 WeakPolarHBondContact O-CG2 3.12Å; A451-V455 PolarHBondContact O-N 3.26Å; R453-V455 VanDerWaalsContact C-N 3.31Å; R453-V455 PolarHBondContact O-N 2.91Å; V455-V458 PolarHBondContact O-N 2.83Å; V455-S459 VanDerWaalsContact O-CB 3.26Å; V455-S459 WeakPolarHBondContact O-CB 3.45Å; V455-S459 PolarHBondContact O-N 3.29Å; V455-S459 PolarHBondContact O-OG 3.05Å; V455-L536 HydrophobicContact CG1-CD2 4.48Å; V455-L536 HydrophobicContact CG2-CD1 4.16Å; V455-L540 HydrophobicContact CG2-CB 3.95Å; V455-L540 HydrophobicContact CG2-CD1 3.79Å; V455-L540 HydrophobicContact CG2-CD2 4.21Å; V455-L540 HydrophobicContact CG2-CG 4.17Å; V455-L589 HydrophobicContact CG1-CD2 4.48Å; V455-I607 HydrophobicContact CG1-CG2 3.68Å; V455-V613 HydrophobicContact CG1-CG2 4.2Å
456	S	97.1	Very high	95.9	Very high	16 Å²	16	18.3 Å²	18.3	11%	0.112	10%	0.095	C	C	.	.	H	α-helix	trans	-57.3	-50.3	173.6	-166.9	0	0	0	0	111.2	G452 R453 V458 S459 E460	G452-S456 PolarHBondContact O-N 3.17Å; R453-S456 WeakPolarHBondContact O-CB 3.38Å; R453-S456 PolarHBondContact O-N 3.34Å; R453-S456 VanDerWaalsContact O-N 3.13Å; S456-V458 PolarHBondContact O-N 2.92Å; S456-S459 PolarHBondContact O-N 2.68Å; S456-S459 VanDerWaalsContact O-N 3.11Å; S456-E460 WeakPolarHBondContact O-CG 3.07Å; S456-E460 PolarHBondContact O-N 3.27Å; S456-E460 PolarHBondContact OG-OE1 2.93Å
457	D	97.3	Very high	96.2	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-61.3	-40.9	-178.1	-71.1	0	0	0	0	113	R410 R453 M454 A461 R491 L492	R410-D457 WeakPolarHBondContact CB-O 3.39Å; R410-D457 HydrophobicContact CG-CB 4.42Å; R410-D457 WeakPolarHBondContact CG-O 3.49Å; R453-D457 PolarHBondContact O-N 2.98Å; M454-D457 PolarHBondContact O-N 3.13Å; D457-A461 PolarHBondContact O-N 2.85Å; D457-R491 IonicContact OD1-CZ 2.74Å; D457-R491 IonicContact OD1-NE 2.66Å; D457-R491 PolarHBondContact OD1-NE 3.4Å; D457-R491 IonicContact OD1-NH2 3.25Å; D457-R491 PolarHBondContact OD1-NH2 3.34Å; D457-R491 WeakPolarHBondContact OD2-CA 3.38Å; D457-R491 VanDerWaalsContact OD2-CB 3.27Å; D457-R491 WeakPolarHBondContact OD2-CB 3.49Å; D457-R491 WeakPolarHBondContact OD2-CD 3.47Å; D457-R491 IonicContact OD2-CZ 3.88Å; D457-R491 IonicContact OD2-NE 3.03Å; D457-R491 PolarHBondContact OD2-NE 2.77Å; D457-L492 HydrophobicContact CB-CB 3.96Å; D457-L492 PolarHBondContact OD2-N 2.89Å
458	V	98.4	Very high	96.4	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	12%	0.122	C	C	.	.	H	α-helix	trans	-72.1	-35.8	175.9	-178.1	0	0	0	0	110.8	M454 V455 S456 A461 L462 L475 L480 L492 L536	M454-V458 WeakPolarHBondContact O-CG2 3.4Å; M454-V458 PolarHBondContact O-N 3.19Å; M454-V458 VanDerWaalsContact O-N 3.12Å; V455-V458 PolarHBondContact O-N 2.83Å; S456-V458 PolarHBondContact O-N 2.92Å; V458-A461 WeakPolarHBondContact O-CB 3.43Å; V458-A461 PolarHBondContact O-N 3.15Å; V458-L462 HydrophobicContact CG1-CD1 4.19Å; V458-L462 HydrophobicContact CG1-CG 4.12Å; V458-L462 WeakPolarHBondContact O-CB 3.27Å; V458-L462 WeakPolarHBondContact O-CG 3.18Å; V458-L462 PolarHBondContact O-N 3.47Å; V458-L475 HydrophobicContact CG1-CD1 4Å; V458-L475 HydrophobicContact CG1-CD2 4.08Å; V458-L480 HydrophobicContact CG1-CD2 4.46Å; V458-L480 HydrophobicContact CG2-CD1 3.83Å; V458-L480 HydrophobicContact CG2-CD2 3.65Å; V458-L480 HydrophobicContact CG2-CG 4.39Å; V458-L492 HydrophobicContact CG2-CB 4.47Å; V458-L492 HydrophobicContact CG2-CD1 3.86Å; V458-L536 HydrophobicContact CB-CD1 3.96Å; V458-L536 HydrophobicContact CG1-CD1 3.84Å; V458-L536 HydrophobicContact CG1-CD2 4.21Å
459	S	98.6	Very high	96.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.4	-38.8	177.1	-54.4	0	0	0	0	111.9	V455 S456 A461 L462 D463 I607	V455-S459 VanDerWaalsContact O-CB 3.26Å; V455-S459 WeakPolarHBondContact O-CB 3.45Å; V455-S459 PolarHBondContact O-N 3.29Å; V455-S459 PolarHBondContact O-OG 3.05Å; S456-S459 PolarHBondContact O-N 2.68Å; S456-S459 VanDerWaalsContact O-N 3.11Å; S459-A461 VanDerWaalsContact C-N 3.31Å; S459-A461 PolarHBondContact O-N 2.82Å; S459-L462 PolarHBondContact O-N 3.04Å; S459-D463 VanDerWaalsContact O-CB 3.22Å; S459-D463 WeakPolarHBondContact O-CB 3.1Å; S459-D463 PolarHBondContact O-N 3.28Å; S459-I607 WeakPolarHBondContact OG-CG2 3.19Å
460	E	98.4	Very high	96.8	Very high	53 Å²	53	25 Å²	25	25%	0.248	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-44.3	169.2	-71.4	168.5	-148.1	0	0	110.7	H408 R410 S456 Y464 R491 L608	H408-E460 VanDerWaalsContact CE1-C 3.43Å; H408-E460 PolarHBondContact CE1-O 2.89Å; R410-E460 HydrophobicContact CG-CB 3.92Å; R410-E460 WeakPolarHBondContact CG-OE2 3.39Å; S456-E460 WeakPolarHBondContact O-CG 3.07Å; S456-E460 PolarHBondContact O-N 3.27Å; S456-E460 PolarHBondContact OG-OE1 2.93Å; E460-Y464 PolarHBondContact O-N 3.46Å; E460-R491 IonicContact OE1-NH2 2.66Å; E460-R491 PolarHBondContact OE1-NH2 2.76Å; E460-R491 IonicContact OE2-NH2 2.67Å; E460-L608 HydrophobicContact CG-CD2 3.96Å
461	A	98.6	Very high	97.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-43.7	178	0	0	0	0	0	113.2	R410 I411 D457 V458 S459 I465 L494	R410-A461 HydrophobicContact CB-CB 3.91Å; R410-A461 WeakPolarHBondContact O-CB 3.47Å; I411-A461 HydrophobicContact CG1-CB 4.01Å; D457-A461 PolarHBondContact O-N 2.85Å; V458-A461 WeakPolarHBondContact O-CB 3.43Å; V458-A461 PolarHBondContact O-N 3.15Å; S459-A461 VanDerWaalsContact C-N 3.31Å; S459-A461 PolarHBondContact O-N 2.82Å; A461-I465 PolarHBondContact O-N 3.24Å; A461-L494 HydrophobicContact CB-CB 4.09Å; A461-L494 HydrophobicContact CB-CD2 4.29Å
462	L	98.8	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.7	-45.8	179.3	-71.4	-175.1	0	0	0	111.3	V458 S459 Y464 I465 H466 L475 L494 D532 L536 A604	V458-L462 HydrophobicContact CG1-CD1 4.19Å; V458-L462 HydrophobicContact CG1-CG 4.12Å; V458-L462 WeakPolarHBondContact O-CB 3.27Å; V458-L462 WeakPolarHBondContact O-CG 3.18Å; V458-L462 PolarHBondContact O-N 3.47Å; S459-L462 PolarHBondContact O-N 3.04Å; L462-Y464 VanDerWaalsContact C-N 3.3Å; L462-Y464 PolarHBondContact O-N 3.39Å; L462-I465 HydrophobicContact CD2-CD1 4.09Å; L462-I465 VanDerWaalsContact O-CG1 3.23Å; L462-I465 WeakPolarHBondContact O-CG1 3.49Å; L462-I465 PolarHBondContact O-N 3.21Å; L462-I465 VanDerWaalsContact O-N 3.1Å; L462-H466 VanDerWaalsContact O-CB 3.25Å; L462-H466 WeakPolarHBondContact O-CB 3.38Å; L462-H466 PolarHBondContact O-CD2 3.22Å; L462-H466 PolarHBondContact O-N 3.43Å; L462-L475 HydrophobicContact CD1-CD2 4.05Å; L462-L475 HydrophobicContact CD2-CD2 4.42Å; L462-L494 HydrophobicContact CD2-CD2 4.31Å; L462-D532 HydrophobicContact CD1-CB 4.05Å; L462-D532 HydrophobicContact CD2-CB 3.7Å; L462-L536 HydrophobicContact CD1-CB 4.4Å; L462-L536 HydrophobicContact CD1-CD2 3.98Å; L462-A604 HydrophobicContact CB-CB 3.79Å
463	D	98.6	Very high	97.2	Very high	46 Å²	46	25 Å²	25	25%	0.246	13%	0.127	C	C	.	.	H	α-helix	trans	-57.3	-44.2	179.4	-172.5	60.5	0	0	0	111.8	S459 I465 H466 C467 A604 E605 L608	S459-D463 VanDerWaalsContact O-CB 3.22Å; S459-D463 WeakPolarHBondContact O-CB 3.1Å; S459-D463 PolarHBondContact O-N 3.28Å; D463-I465 VanDerWaalsContact C-N 3.34Å; D463-I465 PolarHBondContact O-N 3.38Å; D463-H466 PolarHBondContact O-N 3.05Å; D463-C467 VanDerWaalsContact O-CB 3.31Å; D463-C467 WeakPolarHBondContact O-CB 3.4Å; D463-C467 PolarHBondContact O-N 3Å; D463-C467 PolarHBondContact O-SG 3.1Å; D463-A604 HydrophobicContact CB-CB 3.81Å; D463-E605 WeakPolarHBondContact OD1-CB 3.31Å; D463-E605 PolarHBondContact OD1-N 3.39Å; D463-L608 HydrophobicContact CB-CD1 4.28Å
464	Y	98.6	Very high	97.3	Very high	40 Å²	40	24.5 Å²	24.5	16%	0.157	13%	0.127	C	C	.	.	H	α-helix	trans	-58.5	-39.3	175.9	-178.4	-88.1	0	0	0	113.5	L406 S407 H408 I411 E460 L462 R468	L406-Y464 HydrophobicContact CB-CE1 4.42Å; L406-Y464 HydrophobicContact CD2-CD1 4.17Å; L406-Y464 HydrophobicContact CD2-CE1 3.63Å; S407-Y464 PolarHBondContact N-OH 3.01Å; S407-Y464 WeakPolarHBondContact O-CE2 3.44Å; S407-Y464 VanDerWaalsContact O-CZ 3.25Å; S407-Y464 PolarHBondContact O-OH 3.32Å; H408-Y464 HydrophobicContact CB-CD1 3.8Å; H408-Y464 HydrophobicContact CB-CD2 3.93Å; H408-Y464 HydrophobicContact CB-CE1 3.9Å; H408-Y464 HydrophobicContact CB-CE2 4Å; H408-Y464 HydrophobicContact CB-CG 3.82Å; H408-Y464 AromaticContact CD2-CD2 3.43Å; H408-Y464 VanDerWaalsContact CD2-CD2 3.43Å; H408-Y464 WeakPolarHBondContact CD2-CD2 3.48Å; H408-Y464 AromaticContact CD2-CG 3.69Å; H408-Y464 AromaticContact CG-CD2 3.84Å; H408-Y464 AromaticContact CG-CG 3.72Å; I411-Y464 HydrophobicContact CD1-CD1 3.78Å; I411-Y464 HydrophobicContact CD1-CE1 4.35Å; E460-Y464 PolarHBondContact O-N 3.46Å; L462-Y464 VanDerWaalsContact C-N 3.3Å; L462-Y464 PolarHBondContact O-N 3.39Å; Y464-R468 WeakPolarHBondContact O-CD 3.42Å; Y464-R468 PolarHBondContact O-NH1 3.22Å
465	I	98.3	Very high	97.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-84.9	-35.1	179	63.3	167.6	0	0	0	112.3	L406 I411 A461 L462 D463 R468 S469 I470 H472 L494 F497	L406-I465 HydrophobicContact CD1-CG2 4.36Å; L406-I465 HydrophobicContact CD2-CG2 3.95Å; I411-I465 HydrophobicContact CD1-CG2 3.63Å; A461-I465 PolarHBondContact O-N 3.24Å; L462-I465 HydrophobicContact CD2-CD1 4.09Å; L462-I465 VanDerWaalsContact O-CG1 3.23Å; L462-I465 WeakPolarHBondContact O-CG1 3.49Å; L462-I465 PolarHBondContact O-N 3.21Å; L462-I465 VanDerWaalsContact O-N 3.1Å; D463-I465 VanDerWaalsContact C-N 3.34Å; D463-I465 PolarHBondContact O-N 3.38Å; I465-R468 CarbonylContact O-C 3.59Å; I465-R468 WeakPolarHBondContact O-CA 3.41Å; I465-R468 WeakPolarHBondContact O-CB 3.47Å; I465-R468 PolarHBondContact O-N 2.94Å; I465-S469 PolarHBondContact O-N 3.46Å; I465-I470 CarbonylContact C-O 3.53Å; I465-I470 HydrophobicContact CB-CB 4.03Å; I465-I470 HydrophobicContact CB-CG2 4.18Å; I465-I470 PolarHBondContact O-N 3.43Å; I465-H472 HydrophobicContact CD1-CB 4.09Å; I465-L494 HydrophobicContact CD1-CD2 4.38Å; I465-F497 HydrophobicContact CD1-CE1 4.39Å; I465-F497 HydrophobicContact CG2-CE1 4.15Å; I465-F497 HydrophobicContact CG2-CZ 4.34Å
466	H	98.3	Very high	97.3	Very high	26 Å²	26	25.7 Å²	25.7	12%	0.12	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-37.9	179.6	-68.3	-176	0	0	0	111.5	L462 D463 R468 S469 I470 V529 D532	L462-H466 VanDerWaalsContact O-CB 3.25Å; L462-H466 WeakPolarHBondContact O-CB 3.38Å; L462-H466 PolarHBondContact O-CD2 3.22Å; L462-H466 PolarHBondContact O-N 3.43Å; D463-H466 PolarHBondContact O-N 3.05Å; H466-R468 PolarHBondContact O-N 3.34Å; H466-R468 VanDerWaalsContact O-N 3.13Å; H466-S469 WeakPolarHBondContact O-CA 3.42Å; H466-S469 PolarHBondContact O-N 3.33Å; H466-I470 PolarHBondContact CD2-O 3.28Å; H466-V529 HydrophobicContact CB-CB 4.24Å; H466-V529 HydrophobicContact CB-CG1 4.28Å; H466-V529 HydrophobicContact CB-CG2 4.47Å; H466-V529 PolarHBondContact CE1-O 3.43Å; H466-V529 PolarHBondContact NE2-O 2.85Å; H466-D532 IonicContact CD2-OD2 2.78Å; H466-D532 IonicContact CE1-OD2 2.88Å; H466-D532 IonicContact NE2-OD2 3.8Å; H466-D532 PolarHBondContact NE2-OD2 3.37Å
467	C	97.1	Very high	97.2	Very high	94 Å²	94	25 Å²	25	64%	0.635	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12	169.6	-72.6	0	0	0	0	114.2	D463	D463-C467 VanDerWaalsContact O-CB 3.31Å; D463-C467 WeakPolarHBondContact O-CB 3.4Å; D463-C467 PolarHBondContact O-N 3Å; D463-C467 PolarHBondContact O-SG 3.1Å
468	R	96.1	Very high	97	Very high	115 Å²	115	27.8 Å²	27.8	43%	0.434	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	11.7	173.3	-67.1	167.3	173.5	67.6	7.8	112.1	Y464 I465 H466 I470	Y464-R468 WeakPolarHBondContact O-CD 3.42Å; Y464-R468 PolarHBondContact O-NH1 3.22Å; I465-R468 CarbonylContact O-C 3.59Å; I465-R468 WeakPolarHBondContact O-CA 3.41Å; I465-R468 WeakPolarHBondContact O-CB 3.47Å; I465-R468 PolarHBondContact O-N 2.94Å; H466-R468 PolarHBondContact O-N 3.34Å; H466-R468 VanDerWaalsContact O-N 3.13Å; R468-I470 HydrophobicContact CB-CD1 3.89Å; R468-I470 HydrophobicContact CB-CG1 4.24Å; R468-I470 PolarHBondContact O-N 2.88Å
469	S	96.4	Very high	96.9	Very high	59 Å²	59	28.4 Å²	28.4	41%	0.413	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	21	-173.1	-50.9	0	0	0	0	114.3	I465 H466 V502 V503	I465-S469 PolarHBondContact O-N 3.46Å; H466-S469 WeakPolarHBondContact O-CA 3.42Å; H466-S469 PolarHBondContact O-N 3.33Å; S469-V502 CarbonylContact O-C 3.59Å; S469-V503 WeakPolarHBondContact CB-O 3.27Å; S469-V503 PolarHBondContact O-N 3.02Å
470	I	97	Very high	96.8	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.7	178.6	-65.1	161.3	0	0	0	109.2	L402 L406 I465 H466 R468 A500 M501 V502	L402-I470 HydrophobicContact CD2-CD1 3.73Å; L402-I470 HydrophobicContact CD2-CG1 3.83Å; L402-I470 HydrophobicContact CD2-CG2 4.26Å; L406-I470 HydrophobicContact CD2-CD1 4.01Å; I465-I470 CarbonylContact C-O 3.53Å; I465-I470 HydrophobicContact CB-CB 4.03Å; I465-I470 HydrophobicContact CB-CG2 4.18Å; I465-I470 PolarHBondContact O-N 3.43Å; H466-I470 PolarHBondContact CD2-O 3.28Å; R468-I470 HydrophobicContact CB-CD1 3.89Å; R468-I470 HydrophobicContact CB-CG1 4.24Å; R468-I470 PolarHBondContact O-N 2.88Å; I470-A500 HydrophobicContact CG2-CB 4.47Å; I470-M501 WeakPolarHBondContact CA-O 3.1Å; I470-V502 HydrophobicContact CG1-CG2 4.06Å
471	V	96.9	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141.9	172.1	66.1	0	0	0	0	110.1	R473 A500 M501 V503 V529 V531 D532	V471-R473 HydrophobicContact CB-CG 4.26Å; V471-R473 HydrophobicContact CG1-CG 3.69Å; V471-R473 HydrophobicContact CG2-CG 3.65Å; V471-A500 CarbonylContact O-C 3.5Å; V471-A500 WeakPolarHBondContact O-CA 3.43Å; V471-A500 WeakPolarHBondContact O-CB 3.48Å; V471-M501 HydrophobicContact CG1-CG 3.77Å; V471-M501 PolarHBondContact N-O 3.35Å; V471-M501 PolarHBondContact O-N 3.39Å; V471-V503 HydrophobicContact CB-CG2 3.81Å; V471-V503 HydrophobicContact CG1-CG2 3.3Å; V471-V529 HydrophobicContact CB-CG1 4.28Å; V471-V531 HydrophobicContact CG2-CG2 3.58Å; V471-D532 WeakPolarHBondContact CG2-OD2 3.28Å
472	H	97.6	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.			trans	-86.2	-44.2	-179.1	-164.4	-100.4	0	0	0	113.1	I465 D474 L475 G495 D496 F497 L499 D532	I465-H472 HydrophobicContact CD1-CB 4.09Å; H472-D474 PolarHBondContact O-N 2.93Å; H472-L475 PolarHBondContact ND1-N 2.98Å; H472-G495 PolarHBondContact CE1-O 2.76Å; H472-G495 PolarHBondContact NE2-O 3.48Å; H472-D496 PolarHBondContact NE2-O 2.9Å; H472-F497 AromaticContact CD2-CD1 4Å; H472-F497 AromaticContact CD2-CE1 3.88Å; H472-F497 AromaticContact CD2-CE2 3.91Å; H472-F497 AromaticContact CD2-CZ 3.84Å; H472-F497 AromaticContact NE2-CD2 3.73Å; H472-F497 AromaticContact NE2-CE2 3.84Å; H472-L499 CarbonylContact O-C 3.39Å; H472-D532 WeakPolarHBondContact CB-OD1 3.47Å; H472-D532 PolarHBondContact N-OD1 2.84Å; H472-D532 PolarHBondContact N-OD2 3.32Å
473	R	94.1	Very high	96.2	Very high	37 Å²	37	31.8 Å²	31.8	14%	0.14	16%	0.161	C	C	.	.	S	Bend	trans	63.7	-11.5	178.2	-49.8	-170.2	-67.9	-172.8	-12.1	117.7	V471 L499 M501 Y527 D532	V471-R473 HydrophobicContact CB-CG 4.26Å; V471-R473 HydrophobicContact CG1-CG 3.69Å; V471-R473 HydrophobicContact CG2-CG 3.65Å; R473-L499 PolarHBondContact NE-O 2.96Å; R473-L499 PolarHBondContact NH2-O 3.22Å; R473-M501 PolarHBondContact NH1-SD 3.15Å; R473-M501 PolarHBondContact NH2-SD 3.19Å; R473-M501 VanDerWaalsContact NH2-SD 3.44Å; R473-Y527 WeakPolarHBondContact CD-OH 3.36Å; R473-Y527 HydrophobicContact CG-CE2 4.2Å; R473-Y527 PolarHBondContact NH1-OH 3.46Å; R473-D532 PolarHBondContact N-OD1 3.35Å
474	D	93.8	Very high	95.3	Very high	15 Å²	15	36.4 Å²	36.4	8%	0.08	18%	0.178	C	C	.	.			trans	-127.5	41.7	175.8	-159.6	27.3	0	0	0	111.2	H472 K476 N479 L499	H472-D474 PolarHBondContact O-N 2.93Å; D474-K476 PolarHBondContact O-N 2.67Å; D474-K476 IonicContact OD1-NZ 3.41Å; D474-K476 PolarHBondContact OD1-NZ 2.89Å; D474-K476 IonicContact OD2-NZ 3.76Å; D474-K476 PolarHBondContact OD2-NZ 3.11Å; D474-N479 PolarHBondContact O-ND2 2.91Å; D474-N479 PolarHBondContact OD2-ND2 3.36Å; D474-N479 VanDerWaalsContact OD2-ND2 3.08Å; D474-L499 HydrophobicContact CB-CB 4.29Å; D474-L499 HydrophobicContact CB-CD1 4.07Å
475	L	97.6	Very high	94	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	19%	0.191	C	C	.	.			trans	-74.4	115.5	174.2	-174.3	70.7	0	0	0	109.7	V458 L462 H472 L480 L494 D532 A535 L536 I539	V458-L475 HydrophobicContact CG1-CD1 4Å; V458-L475 HydrophobicContact CG1-CD2 4.08Å; L462-L475 HydrophobicContact CD1-CD2 4.05Å; L462-L475 HydrophobicContact CD2-CD2 4.42Å; H472-L475 PolarHBondContact ND1-N 2.98Å; L475-L480 HydrophobicContact CD1-CD1 4.43Å; L475-L480 HydrophobicContact CD1-CD2 3.99Å; L475-L480 HydrophobicContact CD1-CG 4.35Å; L475-L494 HydrophobicContact CD1-CD1 3.5Å; L475-D532 HydrophobicContact CD2-CB 4.49Å; L475-D532 VanDerWaalsContact CD2-O 3.23Å; L475-D532 WeakPolarHBondContact CD2-O 3.3Å; L475-A535 HydrophobicContact CB-CB 3.92Å; L475-A535 HydrophobicContact CD2-CB 4.13Å; L475-A535 HydrophobicContact CG-CB 4.35Å; L475-L536 HydrophobicContact CD2-CB 3.95Å; L475-I539 HydrophobicContact CD2-CD1 4.28Å; L475-I539 HydrophobicContact CG-CD1 3.87Å
476	K	95.3	Very high	92.1	Very high	26 Å²	26	44 Å²	44	11%	0.113	24%	0.235	C	C	.	.	S	Bend	trans	-158.2	160.1	-178.4	65.1	-169.8	-174.7	-135.3	0	109.5	D474 E478 N479 Y516	D474-K476 PolarHBondContact O-N 2.67Å; D474-K476 IonicContact OD1-NZ 3.41Å; D474-K476 PolarHBondContact OD1-NZ 2.89Å; D474-K476 IonicContact OD2-NZ 3.76Å; D474-K476 PolarHBondContact OD2-NZ 3.11Å; K476-E478 WeakPolarHBondContact CB-OE2 3.39Å; K476-E478 HydrophobicContact CD-CB 4.31Å; K476-E478 HydrophobicContact CG-CB 4.12Å; K476-E478 WeakPolarHBondContact CG-OE2 3.47Å; K476-E478 PolarHBondContact O-N 3.21Å; K476-N479 WeakPolarHBondContact CE-ND2 3.48Å; K476-N479 WeakPolarHBondContact CE-OD1 3.44Å; K476-N479 HydrophobicContact CG-CB 4.1Å; K476-N479 PolarHBondContact O-N 2.84Å; K476-Y516 HydrophobicContact CB-CD2 3.79Å; K476-Y516 HydrophobicContact CB-CE2 3.68Å; K476-Y516 HydrophobicContact CB-CG 4.28Å
477	P	95.4	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.4	-179.5	-26.8	36.8	0	0	0	114.5	L436 F437 I440 N479 L480 Y516 I539	L436-P477 HydrophobicContact CB-CB 3.98Å; L436-P477 WeakPolarHBondContact CB-O 3.23Å; L436-P477 HydrophobicContact CD2-CB 4.41Å; L436-P477 HydrophobicContact CG-CB 4.16Å; L436-P477 PolarHBondContact N-O 2.87Å; F437-P477 HydrophobicContact CB-CB 3.99Å; I440-P477 HydrophobicContact CD1-CB 3.84Å; I440-P477 HydrophobicContact CD1-CG 3.78Å; P477-N479 PolarHBondContact O-N 2.87Å; P477-L480 PolarHBondContact O-N 3.27Å; P477-L480 VanDerWaalsContact O-N 3.1Å; P477-Y516 VanDerWaalsContact CD-CZ 3.44Å; P477-Y516 WeakPolarHBondContact CD-OH 3.4Å; P477-Y516 HydrophobicContact CG-CE1 4.39Å; P477-I539 HydrophobicContact CG-CG1 4.25Å
478	E	93.5	Very high	88.5	Confident	60 Å²	60	44.4 Å²	44.4	28%	0.28	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.6	-25.9	175.6	-52.1	92.8	113.4	0	0	113	F437 K476	F437-E478 HydrophobicContact CB-CG 3.87Å; F437-E478 HydrophobicContact CD2-CG 4.11Å; F437-E478 HydrophobicContact CG-CG 4.02Å; K476-E478 WeakPolarHBondContact CB-OE2 3.39Å; K476-E478 HydrophobicContact CD-CB 4.31Å; K476-E478 HydrophobicContact CG-CB 4.12Å; K476-E478 WeakPolarHBondContact CG-OE2 3.47Å; K476-E478 PolarHBondContact O-N 3.21Å
479	N	95.7	Very high	87	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.08	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-100.5	9.4	-179.8	-70.6	-0.9	0	0	0	112.6	D474 K476 P477 G495	D474-N479 PolarHBondContact O-ND2 2.91Å; D474-N479 PolarHBondContact OD2-ND2 3.36Å; D474-N479 VanDerWaalsContact OD2-ND2 3.08Å; K476-N479 WeakPolarHBondContact CE-ND2 3.48Å; K476-N479 WeakPolarHBondContact CE-OD1 3.44Å; K476-N479 HydrophobicContact CG-CB 4.1Å; K476-N479 PolarHBondContact O-N 2.84Å; P477-N479 PolarHBondContact O-N 2.87Å; N479-G495 PolarHBondContact O-N 3.38Å
480	L	97.3	Very high	86.1	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	98.7	178.6	-70	176.9	0	0	0	109.9	D435 L436 V458 L475 P477 L492 L494 I539	D435-L480 CarbonylContact C-O 3.53Å; L436-L480 HydrophobicContact CB-CB 3.98Å; L436-L480 WeakPolarHBondContact CB-O 3.39Å; L436-L480 HydrophobicContact CD2-CB 4.15Å; L436-L480 HydrophobicContact CD2-CD1 3.82Å; L436-L480 PolarHBondContact N-O 3.28Å; V458-L480 HydrophobicContact CG1-CD2 4.46Å; V458-L480 HydrophobicContact CG2-CD1 3.83Å; V458-L480 HydrophobicContact CG2-CD2 3.65Å; V458-L480 HydrophobicContact CG2-CG 4.39Å; L475-L480 HydrophobicContact CD1-CD1 4.43Å; L475-L480 HydrophobicContact CD1-CD2 3.99Å; L475-L480 HydrophobicContact CD1-CG 4.35Å; P477-L480 PolarHBondContact O-N 3.27Å; P477-L480 VanDerWaalsContact O-N 3.1Å; L480-L492 HydrophobicContact CD1-CD1 4.41Å; L480-L494 HydrophobicContact CD2-CB 4.34Å; L480-L494 HydrophobicContact CD2-CD1 3.9Å; L480-I539 HydrophobicContact CD1-CD1 3.99Å; L480-I539 HydrophobicContact CD1-CG2 4.45Å
481	L	96.1	Very high	85.9	Confident	47 Å²	47	40.6 Å²	40.6	25%	0.246	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.9	-174.7	-53.6	-174.5	0	0	0	111.5	V412 V431 D435 L492 K493	V412-L481 HydrophobicContact CG2-CD1 3.94Å; V431-L481 HydrophobicContact CB-CB 3.75Å; V431-L481 HydrophobicContact CB-CD1 3.92Å; V431-L481 HydrophobicContact CG1-CB 3.54Å; V431-L481 HydrophobicContact CG2-CB 4.25Å; V431-L481 HydrophobicContact CG2-CD1 4.14Å; D435-L481 HydrophobicContact CB-CD2 3.9Å; L481-L492 CarbonylContact O-C 3.59Å; L481-L492 WeakPolarHBondContact O-CA 3.5Å; L481-K493 PolarHBondContact N-O 3.31Å; L481-K493 PolarHBondContact O-N 2.84Å
482	I	94.4	Very high	85.8	Confident	19 Å²	19	40.7 Å²	40.7	10%	0.097	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.6	-176.7	-59.7	176.9	0	0	0	110.4	V431 G433 G434 L436 A439 R491 L492	V431-I482 VanDerWaalsContact CG1-C 3.45Å; V431-I482 WeakPolarHBondContact CG1-O 3.5Å; G433-I482 WeakPolarHBondContact CA-O 3.35Å; G433-I482 PolarHBondContact N-O 3.02Å; G434-I482 PolarHBondContact O-N 2.78Å; L436-I482 HydrophobicContact CD1-CD1 4.47Å; A439-I482 HydrophobicContact CB-CD1 3.46Å; A439-I482 VanDerWaalsContact CB-CD1 3.46Å; I482-R491 CarbonylContact C-O 3.57Å; I482-L492 HydrophobicContact CG1-CD2 3.82Å
483	E	91.3	Very high	85.8	Confident	58 Å²	58	41.1 Å²	41.1	27%	0.271	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.3	170.6	-176.5	174.6	-145.7	0	0	109.1	R410 V431 V485 G490 R491 K493	R410-E483 IonicContact CZ-OE2 2.87Å; R410-E483 IonicContact NH1-OE2 3Å; R410-E483 PolarHBondContact NH1-OE2 2.65Å; R410-E483 IonicContact NH2-OE2 2.65Å; R410-E483 PolarHBondContact NH2-OE2 2.7Å; V431-E483 HydrophobicContact CG1-CB 4.36Å; E483-V485 PolarHBondContact O-N 2.7Å; E483-V485 VanDerWaalsContact O-N 3.16Å; E483-G490 WeakPolarHBondContact O-CA 3.4Å; E483-R491 HydrophobicContact CB-CB 4.29Å; E483-R491 PolarHBondContact N-O 2.95Å; E483-R491 PolarHBondContact O-N 3.15Å; E483-K493 WeakPolarHBondContact OE1-CE 3.38Å
484	K	80.5	Confident	86	Confident	143 Å²	143	39.5 Å²	39.5	62%	0.622	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	98.9	179.3	-75.3	171.7	177.5	149.3	0	110.2	S432 G433	S432-K484 PolarHBondContact O-NZ 2.95Å; G433-K484 VanDerWaalsContact CA-CE 3.49Å; G433-K484 PolarHBondContact O-NZ 3.18Å
485	V	72.4	Confident	86.1	Confident	68 Å²	68	39 Å²	39	41%	0.412	23%	0.232	S	C	.	.			trans	-85.3	147.1	174.4	-175.3	0	0	0	0	110.3	E483 A487 G488 R491	E483-V485 PolarHBondContact O-N 2.7Å; E483-V485 VanDerWaalsContact O-N 3.16Å; V485-A487 PolarHBondContact O-N 2.82Å; V485-G488 PolarHBondContact O-N 3.36Å; V485-R491 HydrophobicContact CG2-CB 4.43Å; V485-R491 HydrophobicContact CG2-CG 3.74Å
486	S	58.2	Low	85.7	Confident	132 Å²	132	41.9 Å²	41.9	92%	0.923	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-16.4	-172.7	-41.9	0	0	0	0	116.2	G488	S486-G488 VanDerWaalsContact C-N 3.27Å; S486-G488 PolarHBondContact O-N 3.43Å
487	A	57.5	Low	85.6	Confident	50 Å²	50	40.7 Å²	40.7	41%	0.413	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.8	175.4	0	0	0	0	0	113.9	V485 I489 A624	V485-A487 PolarHBondContact O-N 2.82Å; A487-I489 PolarHBondContact O-N 3.29Å; A487-A624 HydrophobicContact CB-CB 3.81Å
488	G	61.3	Low	85.1	Confident	77 Å²	77	41.4 Å²	41.4	79%	0.794	25%	0.25	S	S	*	.	S	Bend	trans	76.3	-4	-179.3	0	0	0	0	0	115	V485 S486	V485-G488 PolarHBondContact O-N 3.36Å; S486-G488 VanDerWaalsContact C-N 3.27Å; S486-G488 PolarHBondContact O-N 3.43Å
489	I	63.9	Low	84.7	Confident	29 Å²	29	40.9 Å²	40.9	15%	0.149	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-92.6	120.2	178.8	-56.8	175.8	0	0	0	108.9	R453 A487 C620 A624	R453-I489 VanDerWaalsContact CD-CG2 3.46Å; A487-I489 PolarHBondContact O-N 3.29Å; I489-C620 VanDerWaalsContact CD1-O 3.22Å; I489-C620 WeakPolarHBondContact CD1-O 3.45Å; I489-A624 HydrophobicContact CD1-CB 3.77Å
490	G	79.1	Confident	84.4	Confident	10 Å²	10	40.1 Å²	40.1	10%	0.103	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132.9	171.9	0	0	0	0	0	111.4	E483	E483-G490 WeakPolarHBondContact O-CA 3.4Å
491	R	91.8	Very high	83.9	Confident	61 Å²	61	42.5 Å²	42.5	23%	0.23	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	158.9	158.8	-59.8	-63.5	-65.1	-90.9	6.3	108.9	D457 E460 I482 E483 V485	D457-R491 IonicContact OD1-CZ 2.74Å; D457-R491 IonicContact OD1-NE 2.66Å; D457-R491 PolarHBondContact OD1-NE 3.4Å; D457-R491 IonicContact OD1-NH2 3.25Å; D457-R491 PolarHBondContact OD1-NH2 3.34Å; D457-R491 WeakPolarHBondContact OD2-CA 3.38Å; D457-R491 VanDerWaalsContact OD2-CB 3.27Å; D457-R491 WeakPolarHBondContact OD2-CB 3.49Å; D457-R491 WeakPolarHBondContact OD2-CD 3.47Å; D457-R491 IonicContact OD2-CZ 3.88Å; D457-R491 IonicContact OD2-NE 3.03Å; D457-R491 PolarHBondContact OD2-NE 2.77Å; E460-R491 IonicContact OE1-NH2 2.66Å; E460-R491 PolarHBondContact OE1-NH2 2.76Å; E460-R491 IonicContact OE2-NH2 2.67Å; I482-R491 CarbonylContact C-O 3.57Å; E483-R491 HydrophobicContact CB-CB 4.29Å; E483-R491 PolarHBondContact N-O 2.95Å; E483-R491 PolarHBondContact O-N 3.15Å; V485-R491 HydrophobicContact CG2-CB 4.43Å; V485-R491 HydrophobicContact CG2-CG 3.74Å
492	L	96	Very high	83.6	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	147.9	177	-62	-176.9	0	0	0	112.6	R410 L436 M454 D457 V458 L480 L481 I482	R410-L492 WeakPolarHBondContact CD-O 3.27Å; R410-L492 PolarHBondContact NH1-O 3.01Å; L436-L492 HydrophobicContact CD1-CD2 4.39Å; L436-L492 HydrophobicContact CD2-CD1 3.91Å; M454-L492 HydrophobicContact CB-CD1 3.62Å; M454-L492 HydrophobicContact CB-CG 4.34Å; M454-L492 HydrophobicContact CG-CD1 3.78Å; M454-L492 HydrophobicContact CG-CG 4.06Å; M454-L492 HydrophobicContact SD-CD1 4.46Å; D457-L492 HydrophobicContact CB-CB 3.96Å; D457-L492 PolarHBondContact OD2-N 2.89Å; V458-L492 HydrophobicContact CG2-CB 4.47Å; V458-L492 HydrophobicContact CG2-CD1 3.86Å; L480-L492 HydrophobicContact CD1-CD1 4.41Å; L481-L492 CarbonylContact O-C 3.59Å; L481-L492 WeakPolarHBondContact O-CA 3.5Å; I482-L492 HydrophobicContact CG1-CD2 3.82Å
493	K	97.8	Very high	83.2	Confident	10 Å²	10	43.6 Å²	43.6	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127	168.9	-80.8	171	168.9	-78.2	0	109.7	P409 R410 V412 E429 V431 L481 E483	P409-K493 WeakPolarHBondContact O-CE 3.34Å; P409-K493 PolarHBondContact O-NZ 3.07Å; R410-K493 CarbonylContact O-C 3.3Å; R410-K493 WeakPolarHBondContact O-CA 3.32Å; V412-K493 HydrophobicContact CG2-CB 4.04Å; E429-K493 IonicContact OE1-NZ 3.92Å; E429-K493 PolarHBondContact OE1-NZ 3.25Å; E429-K493 VanDerWaalsContact OE2-CE 3.3Å; E429-K493 WeakPolarHBondContact OE2-CE 3.17Å; E429-K493 IonicContact OE2-NZ 2.91Å; E429-K493 PolarHBondContact OE2-NZ 3.25Å; V431-K493 HydrophobicContact CG1-CD 4.4Å; V431-K493 HydrophobicContact CG2-CB 4.35Å; V431-K493 HydrophobicContact CG2-CD 3.52Å; L481-K493 PolarHBondContact N-O 3.31Å; L481-K493 PolarHBondContact O-N 2.84Å; E483-K493 WeakPolarHBondContact OE1-CE 3.38Å
494	L	98.3	Very high	82.8	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	127.8	175.6	179.2	59.5	0	0	0	111.1	R410 V412 A461 L462 I465 L475 L480 F497	R410-L494 PolarHBondContact O-N 2.88Å; V412-L494 WeakPolarHBondContact CG2-O 3.18Å; V412-L494 PolarHBondContact N-O 3.47Å; A461-L494 HydrophobicContact CB-CB 4.09Å; A461-L494 HydrophobicContact CB-CD2 4.29Å; L462-L494 HydrophobicContact CD2-CD2 4.31Å; I465-L494 HydrophobicContact CD1-CD2 4.38Å; L475-L494 HydrophobicContact CD1-CD1 3.5Å; L480-L494 HydrophobicContact CD2-CB 4.34Å; L480-L494 HydrophobicContact CD2-CD1 3.9Å; L494-F497 HydrophobicContact CD2-CE2 4.38Å; L494-F497 HydrophobicContact CD2-CZ 4.1Å; L494-F497 HydrophobicContact CG-CE2 4.08Å; L494-F497 HydrophobicContact CG-CZ 4.3Å
495	G	95	Very high	82.7	Confident	4 Å²	4	46.5 Å²	46.5	4%	0.041	29%	0.29	C	S	.	.			trans	-130.8	-179.8	178.1	0	0	0	0	0	114	H472 N479	H472-G495 PolarHBondContact CE1-O 2.76Å; H472-G495 PolarHBondContact NE2-O 3.48Å; N479-G495 PolarHBondContact O-N 3.38Å
496	D	89.4	Confident	83	Confident	64 Å²	64	46.9 Å²	46.9	34%	0.342	29%	0.294	S	S	.	.			trans	55	69.2	-176.7	-159.4	16	0	0	0	116.7	K382 H472 G498	K382-D496 IonicContact NZ-OD1 3.93Å; K382-D496 PolarHBondContact NZ-OD1 3.27Å; H472-D496 PolarHBondContact NE2-O 2.9Å; D496-G498 PolarHBondContact O-N 2.87Å; D496-G498 PolarHBondContact OD1-N 3.1Å
497	F	92.1	Very high	83.9	Confident	1 Å²	1	41.1 Å²	41.1	0%	0.004	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-73.2	15.8	174.6	-77.6	-112	0	0	0	113.7	E399 L403 L406 I411 I465 H472 L494 L499 A500	E399-F497 HydrophobicContact CG-CB 4.48Å; L403-F497 HydrophobicContact CD1-CB 4.47Å; L403-F497 HydrophobicContact CD2-CB 3.85Å; L403-F497 HydrophobicContact CD2-CD1 4.45Å; L403-F497 HydrophobicContact CD2-CD2 3.64Å; L403-F497 HydrophobicContact CD2-CE2 4.35Å; L403-F497 HydrophobicContact CD2-CG 3.71Å; L403-F497 HydrophobicContact CG-CB 4.01Å; L403-F497 HydrophobicContact CG-CG 4.37Å; L406-F497 HydrophobicContact CD1-CD1 3.78Å; L406-F497 HydrophobicContact CD1-CE1 3.39Å; L406-F497 HydrophobicContact CD1-CZ 3.93Å; I411-F497 HydrophobicContact CD1-CZ 4.29Å; I411-F497 HydrophobicContact CG2-CE2 3.77Å; I411-F497 HydrophobicContact CG2-CZ 3.89Å; I465-F497 HydrophobicContact CD1-CE1 4.39Å; I465-F497 HydrophobicContact CG2-CE1 4.15Å; I465-F497 HydrophobicContact CG2-CZ 4.34Å; H472-F497 AromaticContact CD2-CD1 4Å; H472-F497 AromaticContact CD2-CE1 3.88Å; H472-F497 AromaticContact CD2-CE2 3.91Å; H472-F497 AromaticContact CD2-CZ 3.84Å; H472-F497 AromaticContact NE2-CD2 3.73Å; H472-F497 AromaticContact NE2-CE2 3.84Å; L494-F497 HydrophobicContact CD2-CE2 4.38Å; L494-F497 HydrophobicContact CD2-CZ 4.1Å; L494-F497 HydrophobicContact CG-CE2 4.08Å; L494-F497 HydrophobicContact CG-CZ 4.3Å; F497-L499 PolarHBondContact O-N 3.33Å; F497-L499 VanDerWaalsContact O-N 3.11Å; F497-A500 HydrophobicContact CB-CB 3.92Å; F497-A500 HydrophobicContact CD1-CB 3.57Å; F497-A500 HydrophobicContact CE1-CB 4.46Å; F497-A500 HydrophobicContact CG-CB 4.11Å; F497-A500 WeakPolarHBondContact O-CB 3.06Å; F497-A500 PolarHBondContact O-N 3.39Å
498	G	85.6	Confident	84.8	Confident	17 Å²	17	44.4 Å²	44.4	18%	0.175	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.4	-15.7	-177.6	0	0	0	0	0	115.4	E399 D496	E399-G498 WeakPolarHBondContact OE2-CA 3.39Å; D496-G498 PolarHBondContact O-N 2.87Å; D496-G498 PolarHBondContact OD1-N 3.1Å
499	L	84.9	Confident	85.4	Confident	48 Å²	48	44.8 Å²	44.8	25%	0.251	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-112	0.7	169.2	-66.9	-173.9	0	0	0	113.8	M395 H472 R473 D474 F497 C511	M395-L499 HydrophobicContact CE-CD2 3.94Å; H472-L499 CarbonylContact O-C 3.39Å; R473-L499 PolarHBondContact NE-O 2.96Å; R473-L499 PolarHBondContact NH2-O 3.22Å; D474-L499 HydrophobicContact CB-CB 4.29Å; D474-L499 HydrophobicContact CB-CD1 4.07Å; F497-L499 PolarHBondContact O-N 3.33Å; F497-L499 VanDerWaalsContact O-N 3.11Å; L499-C511 HydrophobicContact CD1-CB 4.24Å
500	A	89.8	Confident	86	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.			trans	-70.1	153.4	-178.1	0	0	0	0	0	112.3	N398 L402 I470 V471 F497	N398-A500 PolarHBondContact ND2-O 2.82Å; L402-A500 HydrophobicContact CD1-CB 3.86Å; L402-A500 WeakPolarHBondContact CD1-O 3.46Å; I470-A500 HydrophobicContact CG2-CB 4.47Å; V471-A500 CarbonylContact O-C 3.5Å; V471-A500 WeakPolarHBondContact O-CA 3.43Å; V471-A500 WeakPolarHBondContact O-CB 3.48Å; F497-A500 HydrophobicContact CB-CB 3.92Å; F497-A500 HydrophobicContact CD1-CB 3.57Å; F497-A500 HydrophobicContact CE1-CB 4.46Å; F497-A500 HydrophobicContact CG-CB 4.11Å; F497-A500 WeakPolarHBondContact O-CB 3.06Å; F497-A500 PolarHBondContact O-N 3.39Å
501	M	87.3	Confident	85.9	Confident	51 Å²	51	46.5 Å²	46.5	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	158.2	173.7	64.3	177.3	-77.2	0	0	112.5	I470 V471 R473 V507	I470-M501 WeakPolarHBondContact CA-O 3.1Å; V471-M501 HydrophobicContact CG1-CG 3.77Å; V471-M501 PolarHBondContact N-O 3.35Å; V471-M501 PolarHBondContact O-N 3.39Å; R473-M501 PolarHBondContact NH1-SD 3.15Å; R473-M501 PolarHBondContact NH2-SD 3.19Å; R473-M501 VanDerWaalsContact NH2-SD 3.44Å; M501-V507 HydrophobicContact CE-CG1 4.5Å; M501-V507 HydrophobicContact CE-CG2 3.73Å; M501-V507 HydrophobicContact SD-CG1 3.96Å; M501-V507 HydrophobicContact SD-CG2 3.91Å
502	V	88.5	Confident	85.1	Confident	68 Å²	68	44.3 Å²	44.3	41%	0.412	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.1	165	-171.7	0	0	0	0	109.4	L402 S469 I470 T504	L402-V502 HydrophobicContact CD2-CG2 4Å; S469-V502 CarbonylContact O-C 3.59Å; I470-V502 HydrophobicContact CG1-CG2 4.06Å; V502-T504 HydrophobicContact CG1-CG2 4.42Å
503	V	86.6	Confident	84.4	Confident	21 Å²	21	46.2 Å²	46.2	13%	0.127	26%	0.262	C	S	.	.			trans	-111.4	98.1	179.4	-176.5	0	0	0	0	109.1	S469 V471 E505 V507	S469-V503 WeakPolarHBondContact CB-O 3.27Å; S469-V503 PolarHBondContact O-N 3.02Å; V471-V503 HydrophobicContact CB-CG2 3.81Å; V471-V503 HydrophobicContact CG1-CG2 3.3Å; V503-E505 WeakPolarHBondContact CG1-O 3.23Å; V503-V507 HydrophobicContact CG1-CG2 4.16Å; V503-V507 HydrophobicContact CG2-CG2 4.08Å
504	T	82.4	Confident	83.8	Confident	123 Å²	123	46.8 Å²	46.8	76%	0.755	27%	0.267	S	S	*	.	S	Bend	trans	-91	-25.4	168.2	57.2	0	0	0	0	112.2	V502	V502-T504 HydrophobicContact CG1-CG2 4.42Å
505	E	79.5	Confident	83.4	Confident	138 Å²	138	48.8 Å²	48.8	65%	0.645	28%	0.279	S	S	*	.	S	Bend	trans	-140.6	157.3	-175.6	-69.4	-64.4	167.4	0	0	109.2	V503 V507	V503-E505 WeakPolarHBondContact CG1-O 3.23Å; E505-V507 PolarHBondContact O-N 2.9Å
506	P	79.3	Confident	83.4	Confident	76 Å²	76	49.9 Å²	49.9	49%	0.494	28%	0.282	S	S	.	.			trans	-54.7	131.1	179.8	-25.8	34.8	0	0	0	113.1	F508	P506-F508 HydrophobicContact CB-CE2 4.07Å; P506-F508 HydrophobicContact CB-CZ 4.22Å; P506-F508 VanDerWaalsContact O-CD2 3.28Å; P506-F508 WeakPolarHBondContact O-CD2 3.45Å; P506-F508 WeakPolarHBondContact O-CE2 3.43Å
507	V	76.1	Confident	83.6	Confident	11 Å²	11	47.2 Å²	47.2	7%	0.067	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-92.7	141.2	-179	-173.2	0	0	0	0	110.1	M501 V503 E505 G526 Y527	M501-V507 HydrophobicContact CE-CG1 4.5Å; M501-V507 HydrophobicContact CE-CG2 3.73Å; M501-V507 HydrophobicContact SD-CG1 3.96Å; M501-V507 HydrophobicContact SD-CG2 3.91Å; V503-V507 HydrophobicContact CG1-CG2 4.16Å; V503-V507 HydrophobicContact CG2-CG2 4.08Å; E505-V507 PolarHBondContact O-N 2.9Å; V507-G526 CarbonylContact O-C 3.56Å; V507-G526 WeakPolarHBondContact O-CA 3.36Å; V507-Y527 HydrophobicContact CB-CD1 4.37Å; V507-Y527 HydrophobicContact CB-CD2 4.22Å; V507-Y527 HydrophobicContact CB-CE1 4.01Å; V507-Y527 HydrophobicContact CB-CE2 3.82Å; V507-Y527 HydrophobicContact CB-CG 4.47Å; V507-Y527 HydrophobicContact CG1-CE1 3.97Å; V507-Y527 HydrophobicContact CG1-CE2 4.05Å; V507-Y527 WeakPolarHBondContact CG1-OH 3.5Å; V507-Y527 PolarHBondContact N-O 3.45Å; V507-Y527 WeakPolarHBondContact O-CD1 3.25Å; V507-Y527 VanDerWaalsContact O-CE1 3.29Å; V507-Y527 WeakPolarHBondContact O-CE1 3.31Å; V507-Y527 PolarHBondContact O-N 3.38Å
508	F	76.8	Confident	83.8	Confident	120 Å²	120	47.2 Å²	47.2	53%	0.526	27%	0.269	S	S	.	.			trans	-119.2	-0.4	-178.4	-62.4	-91.9	0	0	0	113.7	P506 I510 E524 G526	P506-F508 HydrophobicContact CB-CE2 4.07Å; P506-F508 HydrophobicContact CB-CZ 4.22Å; P506-F508 VanDerWaalsContact O-CD2 3.28Å; P506-F508 WeakPolarHBondContact O-CD2 3.45Å; P506-F508 WeakPolarHBondContact O-CE2 3.43Å; F508-I510 PolarHBondContact O-N 2.96Å; F508-E524 WeakPolarHBondContact CD1-O 3.23Å; F508-E524 WeakPolarHBondContact CE1-O 3.33Å; F508-G526 VanDerWaalsContact CE1-CA 3.46Å; F508-G526 VanDerWaalsContact CE1-N 3.28Å
509	T	73.8	Confident	84.4	Confident	85 Å²	85	46.8 Å²	46.8	52%	0.521	26%	0.262	S	S	.	.			trans	-73.7	112.6	178.9	-55.1	0	0	0	0	110.6	C511 Y527	T509-C511 PolarHBondContact O-N 3.41Å; T509-Y527 WeakPolarHBondContact O-CE1 3.26Å; T509-Y527 PolarHBondContact O-OH 3.31Å
510	I	75.1	Confident	84.8	Confident	52 Å²	52	44.9 Å²	44.9	27%	0.267	25%	0.252	S	S	.	.			trans	-70.6	119.6	172.7	-57.7	-179.3	0	0	0	109.3	P18 L38 F508 I521 E524	P18-I510 HydrophobicContact CB-CD1 4.34Å; P18-I510 HydrophobicContact CG-CD1 3.92Å; P18-I510 HydrophobicContact CG-CG1 4.5Å; L38-I510 HydrophobicContact CD2-CD1 4.11Å; L38-I510 HydrophobicContact CD2-CG2 4.22Å; F508-I510 PolarHBondContact O-N 2.96Å; I510-I521 HydrophobicContact CB-CG2 4.27Å; I510-I521 HydrophobicContact CG1-CG2 4.21Å; I510-I521 HydrophobicContact CG2-CG2 4.13Å; I510-E524 HydrophobicContact CD1-CG 4.27Å
511	C	77.1	Confident	84.8	Confident	22 Å²	22	45.2 Å²	45.2	15%	0.149	25%	0.254	C	S	.	.			trans	-154.5	178	179.2	62.7	0	0	0	0	111.4	L499 T509	L499-C511 HydrophobicContact CD1-CB 4.24Å; T509-C511 PolarHBondContact O-N 3.41Å
512	G	76.2	Confident	84.8	Confident	16 Å²	16	43.5 Å²	43.5	17%	0.165	25%	0.246	C	C	.	.	S	Bend	trans	92.2	168.9	-177.7	0	0	0	0	0	114.1
513	T	81	Confident	84.7	Confident	42 Å²	42	42.9 Å²	42.9	26%	0.258	24%	0.244	S	C	.	.			trans	-77.7	123	178.3	-70.3	0	0	0	0	111.1	T515 Y516	T513-T515 VanDerWaalsContact C-N 3.28Å; T513-T515 PolarHBondContact O-N 2.91Å; T513-Y516 HydrophobicContact CG2-CD2 3.79Å; T513-Y516 HydrophobicContact CG2-CE2 3.89Å; T513-Y516 PolarHBondContact O-N 2.85Å
514	P	85.9	Confident	84.4	Confident	22 Å²	22	44.1 Å²	44.1	14%	0.143	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-44.5	-38	-169.3	-36.3	37.3	0	0	0	117.9	Y516 L560 F561 I564	P514-Y516 PolarHBondContact O-N 3.05Å; P514-L560 HydrophobicContact CB-CD2 4.07Å; P514-F561 HydrophobicContact CB-CE1 3.92Å; P514-F561 HydrophobicContact CB-CZ 4.31Å; P514-F561 HydrophobicContact CG-CE1 4.49Å; P514-F561 HydrophobicContact CG-CZ 4.44Å; P514-I564 VanDerWaalsContact O-CD1 3.3Å; P514-I564 WeakPolarHBondContact O-CD1 3.27Å
515	T	89.1	Confident	84.4	Confident	44 Å²	44	42.9 Å²	42.9	27%	0.27	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-61.3	-28.7	179.8	-42.4	0	0	0	0	113.9	T513 A548	T513-T515 VanDerWaalsContact C-N 3.28Å; T513-T515 PolarHBondContact O-N 2.91Å; T515-A548 HydrophobicContact CG2-CB 3.72Å
516	Y	95.9	Very high	84.5	Confident	26 Å²	26	36.9 Å²	36.9	10%	0.102	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-109.6	-1	-171.9	-49.3	-82.9	0	0	0	113	K476 P477 T513 P514 V538 I539 I542	K476-Y516 HydrophobicContact CB-CD2 3.79Å; K476-Y516 HydrophobicContact CB-CE2 3.68Å; K476-Y516 HydrophobicContact CB-CG 4.28Å; P477-Y516 VanDerWaalsContact CD-CZ 3.44Å; P477-Y516 WeakPolarHBondContact CD-OH 3.4Å; P477-Y516 HydrophobicContact CG-CE1 4.39Å; T513-Y516 HydrophobicContact CG2-CD2 3.79Å; T513-Y516 HydrophobicContact CG2-CE2 3.89Å; T513-Y516 PolarHBondContact O-N 2.85Å; P514-Y516 PolarHBondContact O-N 3.05Å; Y516-V538 HydrophobicContact CD1-CB 4.01Å; Y516-V538 HydrophobicContact CD1-CG1 3.45Å; Y516-V538 VanDerWaalsContact CD1-CG1 3.45Å; Y516-V538 HydrophobicContact CE1-CG1 3.82Å; Y516-V538 HydrophobicContact CG-CG1 4.39Å; Y516-I539 HydrophobicContact CD1-CG1 4.12Å; Y516-I539 HydrophobicContact CE1-CG1 4.02Å; Y516-I542 HydrophobicContact CE1-CD1 3.71Å
517	V	93.4	Very high	85.1	Confident	9 Å²	9	33.8 Å²	33.8	6%	0.055	20%	0.195	C	C	.	.			trans	-70.7	136.2	-177.7	176.5	0	0	0	0	110.5	I521 L522 W534 I564	V517-I521 HydrophobicContact CG1-CB 3.73Å; V517-I521 HydrophobicContact CG1-CD1 3.94Å; V517-I521 HydrophobicContact CG1-CG1 4.36Å; V517-I521 HydrophobicContact CG1-CG2 3.87Å; V517-L522 HydrophobicContact CG1-CD1 4.48Å; V517-L522 HydrophobicContact CG1-CD2 3.72Å; V517-L522 HydrophobicContact CG1-CG 3.81Å; V517-W534 PolarHBondContact O-NE1 3.1Å; V517-I564 WeakPolarHBondContact O-CG2 3.46Å
518	A	96.5	Very high	85.9	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.202	C	C	.	.			trans	-79	149.1	179.1	0	0	0	0	0	112.6	E520 I521 L522 V531 W534	A518-E520 VanDerWaalsContact C-N 3.3Å; A518-E520 HydrophobicContact CB-CG 4.45Å; A518-E520 WeakPolarHBondContact CB-OE2 3.49Å; A518-E520 PolarHBondContact O-N 3.15Å; A518-I521 HydrophobicContact CB-CD1 4.24Å; A518-I521 HydrophobicContact CB-CG1 4.34Å; A518-I521 WeakPolarHBondContact O-CB 3.45Å; A518-I521 PolarHBondContact O-N 3.22Å; A518-I521 VanDerWaalsContact O-N 3.08Å; A518-L522 PolarHBondContact O-N 3.33Å; A518-V531 HydrophobicContact CB-CB 3.93Å; A518-V531 HydrophobicContact CB-CG1 3.89Å; A518-W534 VanDerWaalsContact CA-CD1 3.43Å; A518-W534 HydrophobicContact CB-CB 3.82Å; A518-W534 HydrophobicContact CB-CD2 4.34Å; A518-W534 HydrophobicContact CB-CG 3.7Å
519	P	96.5	Very high	86.9	Confident	7 Å²	7	30.8 Å²	30.8	5%	0.045	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-35.7	-175	21.5	-31.8	0	0	0	113.2	I521 L522 C523 W534 I564 P596	P519-I521 PolarHBondContact O-N 2.91Å; P519-L522 CarbonylContact O-C 3.57Å; P519-L522 PolarHBondContact O-N 3.22Å; P519-L522 VanDerWaalsContact O-N 3.1Å; P519-C523 WeakPolarHBondContact O-CB 3.49Å; P519-C523 PolarHBondContact O-N 2.88Å; P519-C523 PolarHBondContact O-SG 2.78Å; P519-W534 HydrophobicContact CG-CE3 4.25Å; P519-W534 HydrophobicContact CG-CH2 4.03Å; P519-W534 HydrophobicContact CG-CZ2 4.39Å; P519-W534 HydrophobicContact CG-CZ3 3.95Å; P519-I564 HydrophobicContact CB-CG2 4.41Å; P519-P596 HydrophobicContact CG-CB 4.15Å
520	E	94.6	Very high	88.1	Confident	8 Å²	8	27.9 Å²	27.9	4%	0.037	17%	0.174	C	C	.	.	H	α-helix	trans	-62	-29.4	177.1	63.1	-91	-148.5	0	0	113.4	A518 E524 T525 V531 R601	A518-E520 VanDerWaalsContact C-N 3.3Å; A518-E520 HydrophobicContact CB-CG 4.45Å; A518-E520 WeakPolarHBondContact CB-OE2 3.49Å; A518-E520 PolarHBondContact O-N 3.15Å; E520-E524 PolarHBondContact O-N 3.2Å; E520-T525 WeakPolarHBondContact CB-OG1 3.48Å; E520-T525 PolarHBondContact O-N 2.87Å; E520-T525 PolarHBondContact O-OG1 3.46Å; E520-V531 HydrophobicContact CG-CG1 4.08Å; E520-V531 WeakPolarHBondContact OE1-CG1 3.27Å; E520-R601 IonicContact OE1-CZ 3.22Å; E520-R601 IonicContact OE1-NH1 3.21Å; E520-R601 PolarHBondContact OE1-NH1 3.19Å; E520-R601 IonicContact OE1-NH2 3.71Å; E520-R601 PolarHBondContact OE1-NH2 3.33Å; E520-R601 IonicContact OE2-CZ 3.57Å; E520-R601 IonicContact OE2-NH1 2.65Å; E520-R601 IonicContact OE2-NH2 3.92Å; E520-R601 PolarHBondContact OE2-NH2 3.27Å
521	I	89.2	Confident	89.2	Confident	8 Å²	8	25.6 Å²	25.6	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-68	-46.2	173.5	-56.5	175.7	0	0	0	109.4	I510 V517 A518 P519 C523 E524 Y527 V531	I510-I521 HydrophobicContact CB-CG2 4.27Å; I510-I521 HydrophobicContact CG1-CG2 4.21Å; I510-I521 HydrophobicContact CG2-CG2 4.13Å; V517-I521 HydrophobicContact CG1-CB 3.73Å; V517-I521 HydrophobicContact CG1-CD1 3.94Å; V517-I521 HydrophobicContact CG1-CG1 4.36Å; V517-I521 HydrophobicContact CG1-CG2 3.87Å; A518-I521 HydrophobicContact CB-CD1 4.24Å; A518-I521 HydrophobicContact CB-CG1 4.34Å; A518-I521 WeakPolarHBondContact O-CB 3.45Å; A518-I521 PolarHBondContact O-N 3.22Å; A518-I521 VanDerWaalsContact O-N 3.08Å; P519-I521 PolarHBondContact O-N 2.91Å; I521-C523 VanDerWaalsContact C-N 3.32Å; I521-C523 PolarHBondContact O-N 2.86Å; I521-E524 PolarHBondContact O-N 3.01Å; I521-Y527 HydrophobicContact CB-CD1 4.32Å; I521-Y527 HydrophobicContact CG1-CD1 3.68Å; I521-Y527 HydrophobicContact CG1-CD2 4.34Å; I521-Y527 HydrophobicContact CG1-CE1 3.99Å; I521-Y527 HydrophobicContact CG1-CG 3.88Å; I521-Y527 HydrophobicContact CG2-CD1 4.5Å; I521-Y527 HydrophobicContact CG2-CE1 4.22Å; I521-V531 HydrophobicContact CD1-CB 3.94Å; I521-V531 HydrophobicContact CD1-CG1 3.78Å; I521-V531 HydrophobicContact CD1-CG2 4.37Å; I521-V531 HydrophobicContact CG1-CG1 3.82Å
522	L	87.6	Confident	90.2	Very high	15 Å²	15	24.6 Å²	24.6	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-73.5	-24.3	-179	-56.9	178.4	0	0	0	112.8	V517 A518 P519 F561 I564 K565	V517-L522 HydrophobicContact CG1-CD1 4.48Å; V517-L522 HydrophobicContact CG1-CD2 3.72Å; V517-L522 HydrophobicContact CG1-CG 3.81Å; A518-L522 PolarHBondContact O-N 3.33Å; P519-L522 CarbonylContact O-C 3.57Å; P519-L522 PolarHBondContact O-N 3.22Å; P519-L522 VanDerWaalsContact O-N 3.1Å; L522-F561 HydrophobicContact CD1-CB 4.06Å; L522-F561 HydrophobicContact CD1-CD1 3.57Å; L522-F561 HydrophobicContact CD1-CE1 4.36Å; L522-F561 HydrophobicContact CD1-CG 4.09Å; L522-F561 HydrophobicContact CD2-CD1 3.74Å; L522-F561 HydrophobicContact CD2-CE1 3.84Å; L522-F561 HydrophobicContact CD2-CG 4.24Å; L522-F561 HydrophobicContact CD2-CZ 4.43Å; L522-F561 HydrophobicContact CG-CD1 4.33Å; L522-I564 HydrophobicContact CD1-CB 3.89Å; L522-I564 HydrophobicContact CD1-CD1 4.31Å; L522-I564 HydrophobicContact CD1-CG2 3.58Å; L522-K565 HydrophobicContact CB-CD 4.47Å; L522-K565 HydrophobicContact CB-CG 4.19Å; L522-K565 WeakPolarHBondContact O-CE 3.38Å; L522-K565 PolarHBondContact O-NZ 3.41Å
523	C	86.1	Confident	91.3	Very high	54 Å²	54	24 Å²	24	37%	0.365	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.7	177.5	-72.8	0	0	0	0	113.7	P519 I521 T525	P519-C523 WeakPolarHBondContact O-CB 3.49Å; P519-C523 PolarHBondContact O-N 2.88Å; P519-C523 PolarHBondContact O-SG 2.78Å; I521-C523 VanDerWaalsContact C-N 3.32Å; I521-C523 PolarHBondContact O-N 2.86Å; C523-T525 HydrophobicContact CB-CG2 4.01Å; C523-T525 PolarHBondContact O-N 2.88Å
524	E	81.4	Confident	92.2	Very high	47 Å²	47	22 Å²	22	22%	0.22	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.1	177.3	-55.5	172.4	168.9	0	0	113.8	R17 P18 F508 I510 E520 I521 G526	R17-E524 IonicContact CZ-OE2 3.84Å; R17-E524 VanDerWaalsContact CZ-OE2 3.25Å; R17-E524 IonicContact NE-OE2 3.05Å; R17-E524 PolarHBondContact NE-OE2 3.22Å; R17-E524 IonicContact NH2-OE2 3.84Å; R17-E524 PolarHBondContact NH2-OE2 2.9Å; P18-E524 WeakPolarHBondContact CD-OE1 3.46Å; F508-E524 WeakPolarHBondContact CD1-O 3.23Å; F508-E524 WeakPolarHBondContact CE1-O 3.33Å; I510-E524 HydrophobicContact CD1-CG 4.27Å; E520-E524 PolarHBondContact O-N 3.2Å; I521-E524 PolarHBondContact O-N 3.01Å; E524-G526 PolarHBondContact O-N 3.1Å
525	T	82.1	Confident	92.8	Very high	98 Å²	98	21.1 Å²	21.1	60%	0.601	13%	0.132	S	C	*	.	S	Bend	trans	-77.9	-0.6	-174.6	49.6	0	0	0	0	114.3	E520 C523	E520-T525 WeakPolarHBondContact CB-OG1 3.48Å; E520-T525 PolarHBondContact O-N 2.87Å; E520-T525 PolarHBondContact O-OG1 3.46Å; C523-T525 HydrophobicContact CB-CG2 4.01Å; C523-T525 PolarHBondContact O-N 2.88Å
526	G	81.6	Confident	93.2	Very high	12 Å²	12	19 Å²	19	12%	0.124	12%	0.119	C	C	.	.			trans	82.7	144.3	-164.3	0	0	0	0	0	111.1	V507 F508 E524	V507-G526 CarbonylContact O-C 3.56Å; V507-G526 WeakPolarHBondContact O-CA 3.36Å; F508-G526 VanDerWaalsContact CE1-CA 3.46Å; F508-G526 VanDerWaalsContact CE1-N 3.28Å; E524-G526 PolarHBondContact O-N 3.1Å
527	Y	90.8	Very high	93.4	Very high	11 Å²	11	17.8 Å²	17.8	4%	0.043	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-143.6	166.2	179.6	70.6	-96.7	0	0	0	113.1	R473 V507 T509 I521 V531	R473-Y527 WeakPolarHBondContact CD-OH 3.36Å; R473-Y527 HydrophobicContact CG-CE2 4.2Å; R473-Y527 PolarHBondContact NH1-OH 3.46Å; V507-Y527 HydrophobicContact CB-CD1 4.37Å; V507-Y527 HydrophobicContact CB-CD2 4.22Å; V507-Y527 HydrophobicContact CB-CE1 4.01Å; V507-Y527 HydrophobicContact CB-CE2 3.82Å; V507-Y527 HydrophobicContact CB-CG 4.47Å; V507-Y527 HydrophobicContact CG1-CE1 3.97Å; V507-Y527 HydrophobicContact CG1-CE2 4.05Å; V507-Y527 WeakPolarHBondContact CG1-OH 3.5Å; V507-Y527 PolarHBondContact N-O 3.45Å; V507-Y527 WeakPolarHBondContact O-CD1 3.25Å; V507-Y527 VanDerWaalsContact O-CE1 3.29Å; V507-Y527 WeakPolarHBondContact O-CE1 3.31Å; V507-Y527 PolarHBondContact O-N 3.38Å; T509-Y527 WeakPolarHBondContact O-CE1 3.26Å; T509-Y527 PolarHBondContact O-OH 3.31Å; I521-Y527 HydrophobicContact CB-CD1 4.32Å; I521-Y527 HydrophobicContact CG1-CD1 3.68Å; I521-Y527 HydrophobicContact CG1-CD2 4.34Å; I521-Y527 HydrophobicContact CG1-CE1 3.99Å; I521-Y527 HydrophobicContact CG1-CG 3.88Å; I521-Y527 HydrophobicContact CG2-CD1 4.5Å; I521-Y527 HydrophobicContact CG2-CE1 4.22Å; Y527-V531 HydrophobicContact CD2-CG1 3.61Å; Y527-V531 HydrophobicContact CD2-CG2 4.12Å; Y527-V531 HydrophobicContact CE2-CG2 4.41Å; Y527-V531 HydrophobicContact CG-CG1 3.85Å
528	G	94.3	Very high	93.6	Very high	21 Å²	21	17.4 Å²	17.4	22%	0.216	11%	0.111	C	C	.	.			trans	-145.4	-151.5	175.2	0	0	0	0	0	111.6	A530 V531	G528-A530 PolarHBondContact O-N 3.31Å; G528-V531 WeakPolarHBondContact O-CG2 3.34Å; G528-V531 PolarHBondContact O-N 2.93Å
529	V	97.8	Very high	93.7	Very high	47 Å²	47	17.4 Å²	17.4	29%	0.285	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-27.3	-173.7	-67	0	0	0	0	115.6	H466 V471 V531 D532	H466-V529 HydrophobicContact CB-CB 4.24Å; H466-V529 HydrophobicContact CB-CG1 4.28Å; H466-V529 HydrophobicContact CB-CG2 4.47Å; H466-V529 PolarHBondContact CE1-O 3.43Å; H466-V529 PolarHBondContact NE2-O 2.85Å; V471-V529 HydrophobicContact CB-CG1 4.28Å; V529-V531 PolarHBondContact O-N 3.43Å; V529-D532 PolarHBondContact O-N 3.41Å; V529-D532 VanDerWaalsContact O-N 3.15Å
530	A	98.3	Very high	93.8	Very high	23 Å²	23	17.1 Å²	17.1	19%	0.19	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-18.2	-179.3	0	0	0	0	0	114.8	G528 D532 V533 W534 P598 R601	G528-A530 PolarHBondContact O-N 3.31Å; A530-D532 VanDerWaalsContact C-N 3.3Å; A530-D532 PolarHBondContact O-N 3.05Å; A530-V533 PolarHBondContact O-N 2.93Å; A530-W534 PolarHBondContact O-N 2.8Å; A530-P598 HydrophobicContact CB-CB 3.79Å; A530-R601 PolarHBondContact O-NH1 3.15Å
531	V	98.3	Very high	94	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.03	11%	0.108	C	C	.	.	H	α-helix	trans	-66.6	-31.9	177.1	-56	0	0	0	0	112.5	V471 A518 E520 I521 Y527 G528 V529 V533 W534 A535	V471-V531 HydrophobicContact CG2-CG2 3.58Å; A518-V531 HydrophobicContact CB-CB 3.93Å; A518-V531 HydrophobicContact CB-CG1 3.89Å; E520-V531 HydrophobicContact CG-CG1 4.08Å; E520-V531 WeakPolarHBondContact OE1-CG1 3.27Å; I521-V531 HydrophobicContact CD1-CB 3.94Å; I521-V531 HydrophobicContact CD1-CG1 3.78Å; I521-V531 HydrophobicContact CD1-CG2 4.37Å; I521-V531 HydrophobicContact CG1-CG1 3.82Å; Y527-V531 HydrophobicContact CD2-CG1 3.61Å; Y527-V531 HydrophobicContact CD2-CG2 4.12Å; Y527-V531 HydrophobicContact CE2-CG2 4.41Å; Y527-V531 HydrophobicContact CG-CG1 3.85Å; G528-V531 WeakPolarHBondContact O-CG2 3.34Å; G528-V531 PolarHBondContact O-N 2.93Å; V529-V531 PolarHBondContact O-N 3.43Å; V531-V533 VanDerWaalsContact C-N 3.28Å; V531-V533 PolarHBondContact O-N 3.26Å; V531-W534 PolarHBondContact O-N 3.16Å; V531-A535 PolarHBondContact O-N 2.93Å; V531-A535 VanDerWaalsContact O-N 3.1Å
532	D	98.7	Very high	94.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-69.6	-31.5	176.9	-57.1	-35.3	0	0	0	110.6	L462 H466 V471 H472 R473 L475 V529 A530 A535 L536	L462-D532 HydrophobicContact CD1-CB 4.05Å; L462-D532 HydrophobicContact CD2-CB 3.7Å; H466-D532 IonicContact CD2-OD2 2.78Å; H466-D532 IonicContact CE1-OD2 2.88Å; H466-D532 IonicContact NE2-OD2 3.8Å; H466-D532 PolarHBondContact NE2-OD2 3.37Å; V471-D532 WeakPolarHBondContact CG2-OD2 3.28Å; H472-D532 WeakPolarHBondContact CB-OD1 3.47Å; H472-D532 PolarHBondContact N-OD1 2.84Å; H472-D532 PolarHBondContact N-OD2 3.32Å; R473-D532 PolarHBondContact N-OD1 3.35Å; L475-D532 HydrophobicContact CD2-CB 4.49Å; L475-D532 VanDerWaalsContact CD2-O 3.23Å; L475-D532 WeakPolarHBondContact CD2-O 3.3Å; V529-D532 PolarHBondContact O-N 3.41Å; V529-D532 VanDerWaalsContact O-N 3.15Å; A530-D532 VanDerWaalsContact C-N 3.3Å; A530-D532 PolarHBondContact O-N 3.05Å; D532-A535 PolarHBondContact O-N 2.83Å; D532-L536 WeakPolarHBondContact O-CB 3.37Å; D532-L536 PolarHBondContact O-N 3.45Å
533	V	98.8	Very high	94.8	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-69.3	-38.1	175.1	179.3	0	0	0	0	111.7	A530 V531 L536 G537 L593 R601 L602 I607	A530-V533 PolarHBondContact O-N 2.93Å; V531-V533 VanDerWaalsContact C-N 3.28Å; V531-V533 PolarHBondContact O-N 3.26Å; V533-L536 PolarHBondContact O-N 3.4Å; V533-G537 PolarHBondContact O-N 3.19Å; V533-L593 HydrophobicContact CG1-CB 4.43Å; V533-L593 HydrophobicContact CG1-CD2 3.79Å; V533-R601 HydrophobicContact CG1-CG 4.16Å; V533-L602 WeakPolarHBondContact CG1-O 3.45Å; V533-I607 HydrophobicContact CG1-CD1 3.87Å
534	W	98.8	Very high	95.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-46.6	172	173	-84.2	0	0	0	111.1	V517 A518 P519 A530 V531 L536 G537 V538 F550 I564 A567 L594	V517-W534 PolarHBondContact O-NE1 3.1Å; A518-W534 VanDerWaalsContact CA-CD1 3.43Å; A518-W534 HydrophobicContact CB-CB 3.82Å; A518-W534 HydrophobicContact CB-CD2 4.34Å; A518-W534 HydrophobicContact CB-CG 3.7Å; P519-W534 HydrophobicContact CG-CE3 4.25Å; P519-W534 HydrophobicContact CG-CH2 4.03Å; P519-W534 HydrophobicContact CG-CZ2 4.39Å; P519-W534 HydrophobicContact CG-CZ3 3.95Å; A530-W534 PolarHBondContact O-N 2.8Å; V531-W534 PolarHBondContact O-N 3.16Å; W534-L536 VanDerWaalsContact C-N 3.32Å; W534-L536 PolarHBondContact O-N 3.19Å; W534-G537 WeakPolarHBondContact O-CA 3.42Å; W534-G537 PolarHBondContact O-N 3.22Å; W534-V538 PolarHBondContact O-N 3.17Å; W534-F550 AromaticContact CH2-CE2 3.71Å; W534-F550 HydrophobicContact CH2-CE2 3.71Å; W534-F550 AromaticContact CH2-CZ 3.78Å; W534-F550 HydrophobicContact CH2-CZ 3.78Å; W534-F550 HydrophobicContact CZ2-CD2 4.05Å; W534-F550 AromaticContact CZ2-CE2 3.3Å; W534-F550 HydrophobicContact CZ2-CE2 3.3Å; W534-F550 AromaticContact CZ2-CZ 3.87Å; W534-F550 HydrophobicContact CZ2-CZ 3.87Å; W534-I564 HydrophobicContact CZ2-CG2 4.05Å; W534-A567 HydrophobicContact CH2-CB 3.77Å; W534-A567 HydrophobicContact CZ3-CB 4.26Å; W534-L594 HydrophobicContact CD2-CD2 3.78Å; W534-L594 HydrophobicContact CE3-CB 4.4Å; W534-L594 HydrophobicContact CE3-CD2 3.91Å; W534-L594 HydrophobicContact CG-CD2 4.25Å; W534-L594 HydrophobicContact CH2-CD2 4.41Å; W534-L594 HydrophobicContact CZ2-CD2 4.29Å; W534-L594 HydrophobicContact CZ3-CB 4.16Å; W534-L594 HydrophobicContact CZ3-CD2 4.23Å; W534-L594 WeakPolarHBondContact CZ3-O 3.48Å; W534-L594 WeakPolarHBondContact O-CD2 3.12Å
535	A	98.7	Very high	95.8	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.033	8%	0.083	C	C	.	.	H	α-helix	trans	-60.2	-40	175.9	0	0	0	0	0	112.2	L475 V531 D532 G537 V538 I539	L475-A535 HydrophobicContact CB-CB 3.92Å; L475-A535 HydrophobicContact CD2-CB 4.13Å; L475-A535 HydrophobicContact CG-CB 4.35Å; V531-A535 PolarHBondContact O-N 2.93Å; V531-A535 VanDerWaalsContact O-N 3.1Å; D532-A535 PolarHBondContact O-N 2.83Å; A535-G537 VanDerWaalsContact C-N 3.31Å; A535-G537 PolarHBondContact O-N 3.21Å; A535-V538 WeakPolarHBondContact O-CB 3.39Å; A535-V538 PolarHBondContact O-N 3.33Å; A535-I539 VanDerWaalsContact O-CG1 3.27Å; A535-I539 WeakPolarHBondContact O-CG1 3.16Å; A535-I539 PolarHBondContact O-N 3.34Å
536	L	98.8	Very high	96.3	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-62.8	-36.1	171.9	-179.3	55.3	0	0	0	112.3	V455 V458 L462 L475 D532 V533 W534 I539 L540 L593 I607	V455-L536 HydrophobicContact CG1-CD2 4.48Å; V455-L536 HydrophobicContact CG2-CD1 4.16Å; V458-L536 HydrophobicContact CB-CD1 3.96Å; V458-L536 HydrophobicContact CG1-CD1 3.84Å; V458-L536 HydrophobicContact CG1-CD2 4.21Å; L462-L536 HydrophobicContact CD1-CB 4.4Å; L462-L536 HydrophobicContact CD1-CD2 3.98Å; L475-L536 HydrophobicContact CD2-CB 3.95Å; D532-L536 WeakPolarHBondContact O-CB 3.37Å; D532-L536 PolarHBondContact O-N 3.45Å; V533-L536 PolarHBondContact O-N 3.4Å; W534-L536 VanDerWaalsContact C-N 3.32Å; W534-L536 PolarHBondContact O-N 3.19Å; L536-I539 PolarHBondContact O-N 2.93Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 PolarHBondContact O-N 3.17Å; L536-L593 HydrophobicContact CG-CD1 4.4Å; L536-I607 HydrophobicContact CD2-CD1 3.91Å
537	G	98.6	Very high	96.9	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.6	-43.1	171.2	0	0	0	0	0	113.4	V533 W534 A535 Y541	V533-G537 PolarHBondContact O-N 3.19Å; W534-G537 WeakPolarHBondContact O-CA 3.42Å; W534-G537 PolarHBondContact O-N 3.22Å; A535-G537 VanDerWaalsContact C-N 3.31Å; A535-G537 PolarHBondContact O-N 3.21Å; G537-Y541 WeakPolarHBondContact O-CB 3.17Å; G537-Y541 PolarHBondContact O-N 2.85Å
538	V	98.7	Very high	97	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-63.4	-43.5	173.8	174.4	0	0	0	0	110.6	Y516 W534 A535 Y541 I542 P549 L594	Y516-V538 HydrophobicContact CD1-CB 4.01Å; Y516-V538 HydrophobicContact CD1-CG1 3.45Å; Y516-V538 VanDerWaalsContact CD1-CG1 3.45Å; Y516-V538 HydrophobicContact CE1-CG1 3.82Å; Y516-V538 HydrophobicContact CG-CG1 4.39Å; W534-V538 PolarHBondContact O-N 3.17Å; A535-V538 WeakPolarHBondContact O-CB 3.39Å; A535-V538 PolarHBondContact O-N 3.33Å; V538-Y541 PolarHBondContact O-N 2.66Å; V538-I542 HydrophobicContact CG1-CD1 3.87Å; V538-I542 WeakPolarHBondContact O-CD1 3.27Å; V538-I542 VanDerWaalsContact O-CG1 3.28Å; V538-I542 WeakPolarHBondContact O-CG1 3.5Å; V538-I542 PolarHBondContact O-N 2.99Å; V538-P549 HydrophobicContact CG1-CG 4.46Å; V538-P549 HydrophobicContact CG2-CG 4.32Å; V538-L594 HydrophobicContact CG2-CD2 3.85Å
539	I	98.4	Very high	97.1	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-64.3	-46.4	178.3	-67.4	164.4	0	0	0	111.2	L436 L475 P477 L480 Y516 A535 L536 Y541 I542 L543	L436-I539 HydrophobicContact CD2-CG2 4.3Å; L475-I539 HydrophobicContact CD2-CD1 4.28Å; L475-I539 HydrophobicContact CG-CD1 3.87Å; P477-I539 HydrophobicContact CG-CG1 4.25Å; L480-I539 HydrophobicContact CD1-CD1 3.99Å; L480-I539 HydrophobicContact CD1-CG2 4.45Å; Y516-I539 HydrophobicContact CD1-CG1 4.12Å; Y516-I539 HydrophobicContact CE1-CG1 4.02Å; A535-I539 VanDerWaalsContact O-CG1 3.27Å; A535-I539 WeakPolarHBondContact O-CG1 3.16Å; A535-I539 PolarHBondContact O-N 3.34Å; L536-I539 PolarHBondContact O-N 2.93Å; I539-Y541 VanDerWaalsContact C-N 3.34Å; I539-Y541 PolarHBondContact O-N 2.86Å; I539-I542 CarbonylContact O-C 3.6Å; I539-I542 PolarHBondContact O-N 2.88Å; I539-I542 VanDerWaalsContact O-N 3.16Å; I539-L543 HydrophobicContact CG2-CD1 4.05Å; I539-L543 HydrophobicContact CG2-CG 4.26Å; I539-L543 WeakPolarHBondContact O-CG 3.35Å; I539-L543 PolarHBondContact O-N 3.42Å
540	L	98.3	Very high	97	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.5	-43.2	176.7	173.5	57.3	0	0	0	111.7	A451 V455 L536 I542 L543 L544 L589 V590 L593 W612	A451-L540 HydrophobicContact CB-CD1 4.44Å; V455-L540 HydrophobicContact CG2-CB 3.95Å; V455-L540 HydrophobicContact CG2-CD1 3.79Å; V455-L540 HydrophobicContact CG2-CD2 4.21Å; V455-L540 HydrophobicContact CG2-CG 4.17Å; L536-L540 WeakPolarHBondContact O-CB 3.46Å; L536-L540 PolarHBondContact O-N 3.17Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 3.04Å; L540-L543 PolarHBondContact O-N 3.44Å; L540-L544 HydrophobicContact CD1-CD1 3.66Å; L540-L544 HydrophobicContact CD1-CD2 4.46Å; L540-L544 HydrophobicContact CD1-CG 3.83Å; L540-L544 HydrophobicContact CG-CD1 4.02Å; L540-L544 WeakPolarHBondContact O-CG 3.29Å; L540-L544 PolarHBondContact O-N 3.26Å; L540-L544 VanDerWaalsContact O-N 3.1Å; L540-L589 HydrophobicContact CD2-CB 4.47Å; L540-L589 HydrophobicContact CD2-CD2 3.66Å; L540-L589 HydrophobicContact CD2-CG 3.9Å; L540-V590 HydrophobicContact CB-CG2 4.49Å; L540-V590 HydrophobicContact CD2-CG2 3.55Å; L540-V590 HydrophobicContact CG-CG2 3.69Å; L540-L593 HydrophobicContact CD2-CD1 4.09Å; L540-W612 HydrophobicContact CD1-CH2 3.66Å; L540-W612 HydrophobicContact CD1-CZ3 3.94Å; L540-W612 HydrophobicContact CD2-CZ3 4.28Å
541	Y	98.3	Very high	96.5	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.016	7%	0.072	C	C	.	.	H	α-helix	trans	-58.2	-45.7	174.7	-173.7	-72.2	0	0	0	110.7	G537 V538 I539 L544 C545 F547 P549 L569 H570 F571 W576 V590	G537-Y541 WeakPolarHBondContact O-CB 3.17Å; G537-Y541 PolarHBondContact O-N 2.85Å; V538-Y541 PolarHBondContact O-N 2.66Å; I539-Y541 VanDerWaalsContact C-N 3.34Å; I539-Y541 PolarHBondContact O-N 2.86Å; Y541-L544 PolarHBondContact O-N 3.11Å; Y541-C545 WeakPolarHBondContact CE1-SG 3.43Å; Y541-C545 PolarHBondContact O-N 3.47Å; Y541-C545 PolarHBondContact O-SG 3.38Å; Y541-F547 WeakPolarHBondContact CD1-O 3.45Å; Y541-F547 AromaticContact CE1-CD2 3.84Å; Y541-F547 HydrophobicContact CE1-CD2 3.84Å; Y541-F547 AromaticContact CE1-CE2 3.64Å; Y541-F547 HydrophobicContact CE1-CE2 3.64Å; Y541-F547 HydrophobicContact CE1-CZ 4.32Å; Y541-F547 WeakPolarHBondContact CE1-O 3.42Å; Y541-F547 AromaticContact CZ-CE2 3.94Å; Y541-F547 VanDerWaalsContact OH-CE2 3.28Å; Y541-F547 WeakPolarHBondContact OH-CE2 3.25Å; Y541-P549 HydrophobicContact CD1-CB 3.78Å; Y541-P549 VanDerWaalsContact CD1-CD 3.48Å; Y541-P549 HydrophobicContact CD1-CG 4.04Å; Y541-P549 HydrophobicContact CD2-CB 3.82Å; Y541-P549 HydrophobicContact CD2-CG 4.41Å; Y541-P549 HydrophobicContact CE1-CB 3.88Å; Y541-P549 HydrophobicContact CE2-CB 3.93Å; Y541-P549 HydrophobicContact CG-CB 3.79Å; Y541-P549 HydrophobicContact CG-CG 3.98Å; Y541-L569 HydrophobicContact CD2-CD1 3.89Å; Y541-L569 HydrophobicContact CE2-CD1 3.86Å; Y541-H570 WeakPolarHBondContact CE2-O 2.97Å; Y541-H570 PolarHBondContact OH-O 3.1Å; Y541-H570 VanDerWaalsContact OH-O 3.12Å; Y541-F571 HydrophobicContact CD2-CD1 4.48Å; Y541-F571 HydrophobicContact CD2-CE1 4.13Å; Y541-F571 AromaticContact CE2-CD1 3.94Å; Y541-F571 HydrophobicContact CE2-CD1 3.94Å; Y541-F571 HydrophobicContact CE2-CE1 4Å; Y541-W576 AromaticContact CD1-CZ2 3.99Å; Y541-W576 HydrophobicContact CD1-CZ2 3.99Å; Y541-W576 AromaticContact CD2-CH2 3.94Å; Y541-W576 HydrophobicContact CD2-CH2 3.94Å; Y541-W576 AromaticContact CD2-CZ2 3.45Å; Y541-W576 HydrophobicContact CD2-CZ2 3.45Å; Y541-W576 VanDerWaalsContact CD2-CZ2 3.45Å; Y541-W576 AromaticContact CE1-CZ2 3.98Å; Y541-W576 HydrophobicContact CE1-CZ2 3.98Å; Y541-W576 AromaticContact CE2-CE2 3.78Å; Y541-W576 HydrophobicContact CE2-CH2 4.23Å; Y541-W576 AromaticContact CE2-CZ2 3.42Å; Y541-W576 HydrophobicContact CE2-CZ2 3.42Å; Y541-W576 VanDerWaalsContact CE2-CZ2 3.42Å; Y541-W576 AromaticContact CE2-NE1 3.9Å; Y541-W576 HydrophobicContact CG-CH2 4.27Å; Y541-W576 AromaticContact CG-CZ2 3.72Å; Y541-W576 HydrophobicContact CG-CZ2 3.72Å; Y541-W576 AromaticContact CZ-CE2 3.79Å; Y541-W576 AromaticContact CZ-CZ2 3.68Å; Y541-W576 AromaticContact CZ-NE1 3.47Å; Y541-W576 PolarHBondContact OH-NE1 3.12Å; Y541-V590 HydrophobicContact CD2-CG1 3.93Å
542	I	97	Very high	95.9	Very high	13 Å²	13	14.2 Å²	14.2	7%	0.067	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-44	175.7	-65.7	161.2	0	0	0	111.8	I440 Y516 V538 I539 L540 L544 G546 A548	I440-I542 HydrophobicContact CD1-CG2 4Å; I440-I542 HydrophobicContact CG2-CG2 4Å; Y516-I542 HydrophobicContact CE1-CD1 3.71Å; V538-I542 HydrophobicContact CG1-CD1 3.87Å; V538-I542 WeakPolarHBondContact O-CD1 3.27Å; V538-I542 VanDerWaalsContact O-CG1 3.28Å; V538-I542 WeakPolarHBondContact O-CG1 3.5Å; V538-I542 PolarHBondContact O-N 2.99Å; I539-I542 CarbonylContact O-C 3.6Å; I539-I542 PolarHBondContact O-N 2.88Å; I539-I542 VanDerWaalsContact O-N 3.16Å; L540-I542 VanDerWaalsContact C-N 3.32Å; L540-I542 PolarHBondContact O-N 3.04Å; I542-L544 VanDerWaalsContact C-N 3.26Å; I542-L544 PolarHBondContact O-N 2.78Å; I542-G546 WeakPolarHBondContact O-CA 3.22Å; I542-G546 PolarHBondContact O-N 2.79Å; I542-A548 HydrophobicContact CD1-CB 4.05Å; I542-A548 HydrophobicContact CG1-CB 4.01Å
543	L	96.2	Very high	94.8	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	12%	0.115	C	C	.	.	H	α-helix	trans	-59.1	-39	179.9	-73	172.6	0	0	0	111.8	L436 I440 F446 A451 M454 I539 L540	L436-L543 HydrophobicContact CD1-CD2 4.08Å; L436-L543 HydrophobicContact CD2-CD2 4.26Å; L436-L543 HydrophobicContact CG-CD2 4.39Å; I440-L543 HydrophobicContact CD1-CD2 4.05Å; I440-L543 HydrophobicContact CG1-CD2 4Å; F446-L543 HydrophobicContact CD2-CB 4.47Å; F446-L543 HydrophobicContact CD2-CD2 3.43Å; F446-L543 VanDerWaalsContact CD2-CD2 3.43Å; F446-L543 HydrophobicContact CE2-CD2 3.66Å; F446-L543 HydrophobicContact CG-CD2 3.99Å; F446-L543 HydrophobicContact CZ-CD2 4.37Å; F446-L543 PolarHBondContact N-O 2.85Å; A451-L543 HydrophobicContact CB-CB 4.1Å; A451-L543 HydrophobicContact CB-CD1 4.48Å; M454-L543 HydrophobicContact CB-CD1 4.11Å; M454-L543 HydrophobicContact SD-CD1 4.27Å; M454-L543 HydrophobicContact SD-CD2 4Å; I539-L543 HydrophobicContact CG2-CD1 4.05Å; I539-L543 HydrophobicContact CG2-CG 4.26Å; I539-L543 WeakPolarHBondContact O-CG 3.35Å; I539-L543 PolarHBondContact O-N 3.42Å; L540-L543 PolarHBondContact O-N 3.44Å
544	L	95.9	Very high	93.9	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-78.5	-40.1	-174.4	-70	173.9	0	0	0	114	K445 E448 A451 L540 Y541 I542 W576 I579 A586 V590 W612	K445-L544 WeakPolarHBondContact CD-O 3.39Å; E448-L544 HydrophobicContact CG-CD2 3.83Å; A451-L544 HydrophobicContact CB-CD2 3.99Å; L540-L544 HydrophobicContact CD1-CD1 3.66Å; L540-L544 HydrophobicContact CD1-CD2 4.46Å; L540-L544 HydrophobicContact CD1-CG 3.83Å; L540-L544 HydrophobicContact CG-CD1 4.02Å; L540-L544 WeakPolarHBondContact O-CG 3.29Å; L540-L544 PolarHBondContact O-N 3.26Å; L540-L544 VanDerWaalsContact O-N 3.1Å; Y541-L544 PolarHBondContact O-N 3.11Å; I542-L544 VanDerWaalsContact C-N 3.26Å; I542-L544 PolarHBondContact O-N 2.78Å; L544-W576 HydrophobicContact CB-CH2 3.78Å; L544-W576 HydrophobicContact CB-CZ2 4.3Å; L544-W576 HydrophobicContact CB-CZ3 4.2Å; L544-W576 HydrophobicContact CD1-CH2 3.76Å; L544-W576 HydrophobicContact CD1-CZ3 3.86Å; L544-W576 HydrophobicContact CG-CH2 4.44Å; L544-I579 HydrophobicContact CB-CD1 3.98Å; L544-I579 HydrophobicContact CD1-CG2 4.47Å; L544-A586 HydrophobicContact CD1-CB 4.01Å; L544-V590 HydrophobicContact CD1-CG2 4.32Å; L544-W612 HydrophobicContact CD2-CH2 4.49Å; L544-W612 HydrophobicContact CD2-CZ2 4.26Å
545	C	94.3	Very high	92.8	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.068	19%	0.192	C	C	.	.	H	α-helix	trans	-116.2	-1.6	-177	73.4	0	0	0	0	115.2	Y541 F547 W576	Y541-C545 WeakPolarHBondContact CE1-SG 3.43Å; Y541-C545 PolarHBondContact O-N 3.47Å; Y541-C545 PolarHBondContact O-SG 3.38Å; C545-F547 VanDerWaalsContact C-N 3.35Å; C545-F547 HydrophobicContact CB-CD1 3.95Å; C545-F547 HydrophobicContact CB-CE1 3.82Å; C545-F547 HydrophobicContact CB-CZ 4.42Å; C545-F547 VanDerWaalsContact O-CD1 3.29Å; C545-F547 WeakPolarHBondContact O-CD1 3.21Å; C545-F547 WeakPolarHBondContact SG-CD1 3.26Å; C545-F547 WeakPolarHBondContact SG-CE1 3.45Å; C545-F547 VanDerWaalsContact SG-CG 3.55Å; C545-F547 PolarHBondContact SG-O 2.7Å; C545-F547 VanDerWaalsContact SG-O 3.35Å; C545-W576 HydrophobicContact CB-CD2 4.44Å; C545-W576 HydrophobicContact CB-CZ2 3.89Å; C545-W576 VanDerWaalsContact CB-NE1 3.33Å; C545-W576 PolarHBondContact SG-NE1 2.91Å; C545-W576 VanDerWaalsContact SG-NE1 3.37Å
546	G	92.4	Very high	92	Very high	29 Å²	29	46.1 Å²	46.1	30%	0.299	21%	0.212	S	C	.	.	S	Bend	trans	78.4	11.3	-180	0	0	0	0	0	115.2	G444 I542	G444-G546 WeakPolarHBondContact O-CA 3.45Å; I542-G546 WeakPolarHBondContact O-CA 3.22Å; I542-G546 PolarHBondContact O-N 2.79Å
547	F	92.8	Very high	91	Very high	37 Å²	37	48.5 Å²	48.5	16%	0.162	22%	0.223	C	C	.	.	S	Bend	trans	-153.3	146.4	-167.9	81.4	-116.7	0	0	0	112.2	Y541 C545 R551 P572 Y575	Y541-F547 WeakPolarHBondContact CD1-O 3.45Å; Y541-F547 AromaticContact CE1-CD2 3.84Å; Y541-F547 HydrophobicContact CE1-CD2 3.84Å; Y541-F547 AromaticContact CE1-CE2 3.64Å; Y541-F547 HydrophobicContact CE1-CE2 3.64Å; Y541-F547 HydrophobicContact CE1-CZ 4.32Å; Y541-F547 WeakPolarHBondContact CE1-O 3.42Å; Y541-F547 AromaticContact CZ-CE2 3.94Å; Y541-F547 VanDerWaalsContact OH-CE2 3.28Å; Y541-F547 WeakPolarHBondContact OH-CE2 3.25Å; C545-F547 VanDerWaalsContact C-N 3.35Å; C545-F547 HydrophobicContact CB-CD1 3.95Å; C545-F547 HydrophobicContact CB-CE1 3.82Å; C545-F547 HydrophobicContact CB-CZ 4.42Å; C545-F547 VanDerWaalsContact O-CD1 3.29Å; C545-F547 WeakPolarHBondContact O-CD1 3.21Å; C545-F547 WeakPolarHBondContact SG-CD1 3.26Å; C545-F547 WeakPolarHBondContact SG-CE1 3.45Å; C545-F547 VanDerWaalsContact SG-CG 3.55Å; C545-F547 PolarHBondContact SG-O 2.7Å; C545-F547 VanDerWaalsContact SG-O 3.35Å; F547-R551 VanDerWaalsContact CD2-NH1 3.31Å; F547-P572 HydrophobicContact CE2-CG 4.44Å; F547-P572 HydrophobicContact CZ-CG 3.73Å; F547-Y575 HydrophobicContact CD1-CG 4.49Å; F547-Y575 HydrophobicContact CE1-CD1 4.08Å; F547-Y575 AromaticContact CE1-CD2 3.92Å; F547-Y575 HydrophobicContact CE1-CD2 3.92Å; F547-Y575 AromaticContact CE1-CG 3.65Å; F547-Y575 HydrophobicContact CE1-CG 3.65Å; F547-Y575 HydrophobicContact CZ-CD2 4.46Å
548	A	94.8	Very high	90.2	Very high	6 Å²	6	53.3 Å²	53.3	5%	0.05	25%	0.245	C	C	.	.			trans	-74.6	146.1	-176.1	0	0	0	0	0	113.8	T515 I542 R551	T515-A548 HydrophobicContact CG2-CB 3.72Å; I542-A548 HydrophobicContact CD1-CB 4.05Å; I542-A548 HydrophobicContact CG1-CB 4.01Å; A548-R551 HydrophobicContact CB-CG 4.37Å; A548-R551 VanDerWaalsContact N-CZ 3.27Å; A548-R551 VanDerWaalsContact N-NH2 3.17Å; A548-R551 PolarHBondContact O-NH1 2.72Å
549	P	96.5	Very high	89.7	Confident	28 Å²	28	56.4 Å²	56.4	18%	0.182	26%	0.26	C	S	.	.	S	Bend	trans	-68.5	-43.5	-175.8	24.7	-30.5	0	0	0	112.9	V538 Y541 L569 L594	V538-P549 HydrophobicContact CG1-CG 4.46Å; V538-P549 HydrophobicContact CG2-CG 4.32Å; Y541-P549 HydrophobicContact CD1-CB 3.78Å; Y541-P549 VanDerWaalsContact CD1-CD 3.48Å; Y541-P549 HydrophobicContact CD1-CG 4.04Å; Y541-P549 HydrophobicContact CD2-CB 3.82Å; Y541-P549 HydrophobicContact CD2-CG 4.41Å; Y541-P549 HydrophobicContact CE1-CB 3.88Å; Y541-P549 HydrophobicContact CE2-CB 3.93Å; Y541-P549 HydrophobicContact CG-CB 3.79Å; Y541-P549 HydrophobicContact CG-CG 3.98Å; P549-L569 HydrophobicContact CB-CD1 3.96Å; P549-L594 HydrophobicContact CB-CD1 4.47Å; P549-L594 HydrophobicContact CG-CD1 4.13Å
550	F	94.9	Very high	89.2	Confident	7 Å²	7	57.2 Å²	57.2	3%	0.031	26%	0.264	C	S	.	.	S	Bend	trans	-101.8	123.2	179.6	-48.8	-67.5	0	0	0	109.9	W534 L560 L563 I564 L594	W534-F550 AromaticContact CH2-CE2 3.71Å; W534-F550 HydrophobicContact CH2-CE2 3.71Å; W534-F550 AromaticContact CH2-CZ 3.78Å; W534-F550 HydrophobicContact CH2-CZ 3.78Å; W534-F550 HydrophobicContact CZ2-CD2 4.05Å; W534-F550 AromaticContact CZ2-CE2 3.3Å; W534-F550 HydrophobicContact CZ2-CE2 3.3Å; W534-F550 AromaticContact CZ2-CZ 3.87Å; W534-F550 HydrophobicContact CZ2-CZ 3.87Å; F550-L560 HydrophobicContact CB-CD1 4.11Å; F550-L560 WeakPolarHBondContact O-CD1 3.18Å; F550-L563 HydrophobicContact CB-CB 4.36Å; F550-I564 HydrophobicContact CB-CG1 3.82Å; F550-I564 HydrophobicContact CD2-CG1 4.02Å; F550-I564 HydrophobicContact CG-CG1 3.98Å; F550-L594 HydrophobicContact CE2-CD1 4.48Å
551	R	87.6	Confident	88.7	Confident	134 Å²	134	59.7 Å²	59.7	51%	0.506	28%	0.275	S	S	.	.			trans	-151.2	132.8	177	-72.1	-158.1	-175.8	105.9	-20.1	112.9	F547 A548 L563	F547-R551 VanDerWaalsContact CD2-NH1 3.31Å; A548-R551 HydrophobicContact CB-CG 4.37Å; A548-R551 VanDerWaalsContact N-CZ 3.27Å; A548-R551 VanDerWaalsContact N-NH2 3.17Å; A548-R551 PolarHBondContact O-NH1 2.72Å; R551-L563 VanDerWaalsContact C-CD1 3.48Å; R551-L563 WeakPolarHBondContact O-CD1 3.41Å
552	S	84.7	Confident	88.3	Confident	15 Å²	15	64.5 Å²	64.5	11%	0.105	30%	0.296	C	S	.	.			trans	-65	147.4	155.9	167.6	0	0	0	0	111.4	D554 R555 D556 E559	S552-D554 PolarHBondContact OG-N 3.12Å; S552-R555 PolarHBondContact OG-N 3.35Å; S552-R555 VanDerWaalsContact OG-N 3.12Å; S552-D556 WeakPolarHBondContact CB-O 3.44Å; S552-D556 WeakPolarHBondContact OG-CB 3.36Å; S552-D556 PolarHBondContact OG-N 3.22Å; S552-E559 WeakPolarHBondContact CA-OE2 3.45Å; S552-E559 WeakPolarHBondContact CB-OE2 3.41Å; S552-E559 PolarHBondContact OG-OE2 3.16Å
553	R	75.8	Confident	88.2	Confident	225 Å²	225	66.9 Å²	66.9	85%	0.849	31%	0.308	S	S	*	.	S	Bend	trans	-67.7	-46.4	173.4	-63.8	-176.3	177.7	-159.8	-1.3	111.9	E559	R553-E559 PolarHBondContact N-OE2 3.39Å
554	D	79.8	Confident	88.1	Confident	147 Å²	147	66.8 Å²	66.8	79%	0.786	31%	0.308	S	S	*	.	S	Bend	trans	-101.1	12	-173.9	-66.9	-67.2	0	0	0	113.8	S552 D556	S552-D554 PolarHBondContact OG-N 3.12Å; D554-D556 VanDerWaalsContact C-N 3.27Å
555	R	76.6	Confident	87.9	Confident	222 Å²	222	71.1 Å²	71.1	84%	0.838	33%	0.326	S	S	*	.			trans	65.4	26.3	-174.5	-50	176.2	176.4	-120.4	-0.8	113.8	S552	S552-R555 PolarHBondContact OG-N 3.35Å; S552-R555 VanDerWaalsContact OG-N 3.12Å
556	D	81.7	Confident	87.8	Confident	82 Å²	82	77.6 Å²	77.6	44%	0.439	36%	0.356	S	S	.	.			trans	-64.4	129.6	168.9	-171.1	-79.4	0	0	0	110.5	S552 D554 E558 E559 L560	S552-D556 WeakPolarHBondContact CB-O 3.44Å; S552-D556 WeakPolarHBondContact OG-CB 3.36Å; S552-D556 PolarHBondContact OG-N 3.22Å; D554-D556 VanDerWaalsContact C-N 3.27Å; D556-E558 WeakPolarHBondContact OD1-CA 3.17Å; D556-E558 WeakPolarHBondContact OD1-CB 3.4Å; D556-E558 PolarHBondContact OD1-N 2.81Å; D556-E559 HydrophobicContact CB-CB 4.04Å; D556-E559 PolarHBondContact OD1-N 3.26Å; D556-L560 WeakPolarHBondContact O-CB 3.42Å; D556-L560 PolarHBondContact O-N 3.24Å
557	Q	78.1	Confident	87.9	Confident	51 Å²	51	76.8 Å²	76.8	24%	0.238	35%	0.346	C	S	.	.	H	α-helix	trans	-79.4	-27.9	-178.5	-73.7	-174.4	-54.9	0	0	112.5	L212 F561	L212-Q557 HydrophobicContact CD1-CG 4.1Å; Q557-F561 HydrophobicContact CB-CE2 4.2Å; Q557-F561 WeakPolarHBondContact O-CB 3.08Å; Q557-F561 WeakPolarHBondContact O-CD2 3.34Å; Q557-F561 WeakPolarHBondContact O-CG 3.28Å; Q557-F561 PolarHBondContact O-N 2.76Å
558	E	82.3	Confident	87.9	Confident	102 Å²	102	81.2 Å²	81.2	48%	0.477	37%	0.367	S	S	.	.	H	α-helix	trans	-75.2	-39.7	179.1	-154.6	-169.2	119.9	0	0	110.8	D556 F561 K562	D556-E558 WeakPolarHBondContact OD1-CA 3.17Å; D556-E558 WeakPolarHBondContact OD1-CB 3.4Å; D556-E558 PolarHBondContact OD1-N 2.81Å; E558-F561 PolarHBondContact O-N 3.16Å; E558-K562 WeakPolarHBondContact O-CB 3.35Å; E558-K562 WeakPolarHBondContact O-CD 3Å; E558-K562 WeakPolarHBondContact O-CG 3.5Å; E558-K562 PolarHBondContact O-N 2.97Å; E558-K562 WeakPolarHBondContact OE1-CE 3.49Å; E558-K562 IonicContact OE1-NZ 3.96Å; E558-K562 PolarHBondContact OE1-NZ 3.43Å
559	E	87.6	Confident	87.9	Confident	64 Å²	64	82.8 Å²	82.8	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	-59.8	-48.2	168	-171.9	-168.6	-177.1	0	0	110.7	S552 R553 D556 F561 K562 L563	S552-E559 WeakPolarHBondContact CA-OE2 3.45Å; S552-E559 WeakPolarHBondContact CB-OE2 3.41Å; S552-E559 PolarHBondContact OG-OE2 3.16Å; R553-E559 PolarHBondContact N-OE2 3.39Å; D556-E559 HydrophobicContact CB-CB 4.04Å; D556-E559 PolarHBondContact OD1-N 3.26Å; E559-F561 PolarHBondContact O-N 2.98Å; E559-K562 WeakPolarHBondContact O-CB 3.35Å; E559-K562 PolarHBondContact O-N 2.76Å; E559-L563 HydrophobicContact CG-CD1 4.21Å; E559-L563 WeakPolarHBondContact O-CG 3.45Å; E559-L563 PolarHBondContact O-N 3.25Å
560	L	87.1	Confident	87.8	Confident	20 Å²	20	86.8 Å²	86.8	11%	0.105	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-46.3	176.6	176.9	62	0	0	0	112.1	P514 F550 D556 K562 L563 I564	P514-L560 HydrophobicContact CB-CD2 4.07Å; F550-L560 HydrophobicContact CB-CD1 4.11Å; F550-L560 WeakPolarHBondContact O-CD1 3.18Å; D556-L560 WeakPolarHBondContact O-CB 3.42Å; D556-L560 PolarHBondContact O-N 3.24Å; L560-K562 VanDerWaalsContact C-N 3.35Å; L560-K562 PolarHBondContact O-N 3.4Å; L560-L563 PolarHBondContact O-N 3.28Å; L560-I564 HydrophobicContact CD1-CD1 3.95Å; L560-I564 HydrophobicContact CD1-CG1 4.27Å; L560-I564 HydrophobicContact CG-CD1 3.93Å; L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 3.1Å
561	F	88.7	Confident	87.8	Confident	52 Å²	52	88.2 Å²	88.2	23%	0.228	40%	0.397	C	S	.	.	H	α-helix	trans	-67.9	-32.6	178.1	-65	-30.7	0	0	0	112.5	P514 L522 Q557 E558 E559 K565	P514-F561 HydrophobicContact CB-CE1 3.92Å; P514-F561 HydrophobicContact CB-CZ 4.31Å; P514-F561 HydrophobicContact CG-CE1 4.49Å; P514-F561 HydrophobicContact CG-CZ 4.44Å; L522-F561 HydrophobicContact CD1-CB 4.06Å; L522-F561 HydrophobicContact CD1-CD1 3.57Å; L522-F561 HydrophobicContact CD1-CE1 4.36Å; L522-F561 HydrophobicContact CD1-CG 4.09Å; L522-F561 HydrophobicContact CD2-CD1 3.74Å; L522-F561 HydrophobicContact CD2-CE1 3.84Å; L522-F561 HydrophobicContact CD2-CG 4.24Å; L522-F561 HydrophobicContact CD2-CZ 4.43Å; L522-F561 HydrophobicContact CG-CD1 4.33Å; Q557-F561 HydrophobicContact CB-CE2 4.2Å; Q557-F561 WeakPolarHBondContact O-CB 3.08Å; Q557-F561 WeakPolarHBondContact O-CD2 3.34Å; Q557-F561 WeakPolarHBondContact O-CG 3.28Å; Q557-F561 PolarHBondContact O-N 2.76Å; E558-F561 PolarHBondContact O-N 3.16Å; E559-F561 PolarHBondContact O-N 2.98Å; F561-K565 WeakPolarHBondContact O-CB 3.29Å; F561-K565 VanDerWaalsContact O-CG 3.23Å; F561-K565 WeakPolarHBondContact O-CG 3.09Å; F561-K565 PolarHBondContact O-N 2.87Å
562	K	90.5	Very high	88	Confident	104 Å²	104	84.3 Å²	84.3	45%	0.452	39%	0.389	S	S	.	.	H	α-helix	trans	-62.4	-48.8	169.7	-74.1	161	-172.8	164.5	0	110.6	E558 E559 L560 I564 K565 H566	E558-K562 WeakPolarHBondContact O-CB 3.35Å; E558-K562 WeakPolarHBondContact O-CD 3Å; E558-K562 WeakPolarHBondContact O-CG 3.5Å; E558-K562 PolarHBondContact O-N 2.97Å; E558-K562 WeakPolarHBondContact OE1-CE 3.49Å; E558-K562 IonicContact OE1-NZ 3.96Å; E558-K562 PolarHBondContact OE1-NZ 3.43Å; E559-K562 WeakPolarHBondContact O-CB 3.35Å; E559-K562 PolarHBondContact O-N 2.76Å; L560-K562 VanDerWaalsContact C-N 3.35Å; L560-K562 PolarHBondContact O-N 3.4Å; K562-I564 PolarHBondContact O-N 3.07Å; K562-K565 PolarHBondContact O-N 3.43Å; K562-H566 PolarHBondContact O-N 3.02Å; K562-H566 PolarHBondContact O-ND1 3.3Å
563	L	93.4	Very high	88.3	Confident	64 Å²	64	87.5 Å²	87.5	34%	0.335	41%	0.411	S	S	.	.	H	α-helix	trans	-60.1	-45.9	179.3	-69.1	167.3	0	0	0	112.1	F550 R551 E559 L560 K565 H566 A567	F550-L563 HydrophobicContact CB-CB 4.36Å; R551-L563 VanDerWaalsContact C-CD1 3.48Å; R551-L563 WeakPolarHBondContact O-CD1 3.41Å; E559-L563 HydrophobicContact CG-CD1 4.21Å; E559-L563 WeakPolarHBondContact O-CG 3.45Å; E559-L563 PolarHBondContact O-N 3.25Å; L560-L563 PolarHBondContact O-N 3.28Å; L563-K565 VanDerWaalsContact C-N 3.34Å; L563-K565 PolarHBondContact O-N 3.45Å; L563-H566 PolarHBondContact O-N 3.04Å; L563-A567 PolarHBondContact O-N 2.8Å
564	I	94	Very high	89.1	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-60.5	-42	176.1	-68.2	168.2	0	0	0	111.2	P514 V517 P519 L522 W534 F550 L560 K562 A567	P514-I564 VanDerWaalsContact O-CD1 3.3Å; P514-I564 WeakPolarHBondContact O-CD1 3.27Å; V517-I564 WeakPolarHBondContact O-CG2 3.46Å; P519-I564 HydrophobicContact CB-CG2 4.41Å; L522-I564 HydrophobicContact CD1-CB 3.89Å; L522-I564 HydrophobicContact CD1-CD1 4.31Å; L522-I564 HydrophobicContact CD1-CG2 3.58Å; W534-I564 HydrophobicContact CZ2-CG2 4.05Å; F550-I564 HydrophobicContact CB-CG1 3.82Å; F550-I564 HydrophobicContact CD2-CG1 4.02Å; F550-I564 HydrophobicContact CG-CG1 3.98Å; L560-I564 HydrophobicContact CD1-CD1 3.95Å; L560-I564 HydrophobicContact CD1-CG1 4.27Å; L560-I564 HydrophobicContact CG-CD1 3.93Å; L560-I564 WeakPolarHBondContact O-CG1 3.4Å; L560-I564 PolarHBondContact O-N 3.1Å; K562-I564 PolarHBondContact O-N 3.07Å; I564-A567 PolarHBondContact O-N 3.3Å
565	K	91.4	Very high	89.6	Confident	94 Å²	94	80.2 Å²	80.2	41%	0.409	39%	0.386	S	S	.	.	H	α-helix	trans	-67	-34.6	178.4	-76	-177.3	179.2	-165.9	0	114.1	L522 F561 K562 L563 A567	L522-K565 HydrophobicContact CB-CD 4.47Å; L522-K565 HydrophobicContact CB-CG 4.19Å; L522-K565 WeakPolarHBondContact O-CE 3.38Å; L522-K565 PolarHBondContact O-NZ 3.41Å; F561-K565 WeakPolarHBondContact O-CB 3.29Å; F561-K565 VanDerWaalsContact O-CG 3.23Å; F561-K565 WeakPolarHBondContact O-CG 3.09Å; F561-K565 PolarHBondContact O-N 2.87Å; K562-K565 PolarHBondContact O-N 3.43Å; L563-K565 VanDerWaalsContact C-N 3.34Å; L563-K565 PolarHBondContact O-N 3.45Å; K565-A567 VanDerWaalsContact C-N 3.35Å
566	H	93.4	Very high	90.4	Very high	147 Å²	147	69.7 Å²	69.7	68%	0.681	35%	0.346	S	S	*	.	H	α-helix	trans	-76.6	-25.8	173.8	-69.4	80.2	0	0	0	111.9	K562 L563 E568	K562-H566 PolarHBondContact O-N 3.02Å; K562-H566 PolarHBondContact O-ND1 3.3Å; L563-H566 PolarHBondContact O-N 3.04Å; H566-E568 PolarHBondContact O-N 3.12Å; H566-E568 VanDerWaalsContact O-N 3.15Å
567	A	93.9	Very high	90.8	Very high	12 Å²	12	70.5 Å²	70.5	10%	0.099	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	27.6	178.4	0	0	0	0	0	114.4	W534 L563 I564 K565 L569 P596	W534-A567 HydrophobicContact CH2-CB 3.77Å; W534-A567 HydrophobicContact CZ3-CB 4.26Å; L563-A567 PolarHBondContact O-N 2.8Å; I564-A567 PolarHBondContact O-N 3.3Å; K565-A567 VanDerWaalsContact C-N 3.35Å; A567-L569 PolarHBondContact O-N 3.26Å; A567-P596 HydrophobicContact CB-CB 3.72Å; A567-P596 HydrophobicContact CB-CG 3.95Å
568	E	93.4	Very high	91.2	Very high	130 Å²	130	72.6 Å²	72.6	61%	0.607	37%	0.371	S	S	*	.			trans	-71.5	112.5	179.2	-164	175.5	177.1	0	0	110.3	H566 H570	H566-E568 PolarHBondContact O-N 3.12Å; H566-E568 VanDerWaalsContact O-N 3.15Å; E568-H570 IonicContact OE1-CE1 2.91Å; E568-H570 PolarHBondContact OE1-CE1 3.09Å; E568-H570 VanDerWaalsContact OE1-CE1 3.22Å; E568-H570 IonicContact OE1-NE2 2.79Å
569	L	94.8	Very high	91.5	Very high	38 Å²	38	68.3 Å²	68.3	20%	0.199	35%	0.351	C	S	.	.			trans	-105.4	107	-169.4	178.9	63.3	0	0	0	111.1	Y541 P549 A567 F571 V590 R591 L594	Y541-L569 HydrophobicContact CD2-CD1 3.89Å; Y541-L569 HydrophobicContact CE2-CD1 3.86Å; P549-L569 HydrophobicContact CB-CD1 3.96Å; A567-L569 PolarHBondContact O-N 3.26Å; L569-F571 HydrophobicContact CD1-CZ 4.41Å; L569-F571 HydrophobicContact CD2-CE2 4Å; L569-F571 HydrophobicContact CD2-CZ 3.69Å; L569-F571 HydrophobicContact CG-CE2 3.94Å; L569-F571 HydrophobicContact CG-CZ 3.89Å; L569-V590 HydrophobicContact CD2-CG1 4.17Å; L569-R591 HydrophobicContact CD2-CG 4.01Å; L569-L594 HydrophobicContact CD1-CD1 3.79Å; L569-L594 HydrophobicContact CD2-CB 4.24Å; L569-L594 HydrophobicContact CD2-CD1 4.2Å
570	H	93.6	Very high	91.1	Very high	113 Å²	113	66.7 Å²	66.7	52%	0.523	35%	0.347	S	S	.	.			trans	-99.1	154.2	175.7	-52	-71	0	0	0	111.9	Y541 E568	Y541-H570 WeakPolarHBondContact CE2-O 2.97Å; Y541-H570 PolarHBondContact OH-O 3.1Å; Y541-H570 VanDerWaalsContact OH-O 3.12Å; E568-H570 IonicContact OE1-CE1 2.91Å; E568-H570 PolarHBondContact OE1-CE1 3.09Å; E568-H570 VanDerWaalsContact OE1-CE1 3.22Å; E568-H570 IonicContact OE1-NE2 2.79Å
571	F	94.9	Very high	90.4	Very high	37 Å²	37	71.1 Å²	71.1	16%	0.162	37%	0.367	C	S	.	.			trans	-127.4	76.8	175	-63.5	-78	0	0	0	108.9	Y541 L569 W576 K587 V590 R591	Y541-F571 HydrophobicContact CD2-CD1 4.48Å; Y541-F571 HydrophobicContact CD2-CE1 4.13Å; Y541-F571 AromaticContact CE2-CD1 3.94Å; Y541-F571 HydrophobicContact CE2-CD1 3.94Å; Y541-F571 HydrophobicContact CE2-CE1 4Å; L569-F571 HydrophobicContact CD1-CZ 4.41Å; L569-F571 HydrophobicContact CD2-CE2 4Å; L569-F571 HydrophobicContact CD2-CZ 3.69Å; L569-F571 HydrophobicContact CG-CE2 3.94Å; L569-F571 HydrophobicContact CG-CZ 3.89Å; F571-W576 HydrophobicContact CB-CB 3.92Å; F571-W576 HydrophobicContact CB-CD2 4.19Å; F571-W576 HydrophobicContact CB-CG 3.86Å; F571-W576 AromaticContact CD1-CD2 3.55Å; F571-W576 HydrophobicContact CD1-CD2 3.55Å; F571-W576 AromaticContact CD1-CE2 3.79Å; F571-W576 AromaticContact CD1-CE3 3.51Å; F571-W576 HydrophobicContact CD1-CE3 3.51Å; F571-W576 HydrophobicContact CD1-CG 4.14Å; F571-W576 AromaticContact CD1-CH2 4Å; F571-W576 HydrophobicContact CD1-CH2 4Å; F571-W576 HydrophobicContact CD1-CZ2 4.04Å; F571-W576 AromaticContact CD1-CZ3 3.73Å; F571-W576 HydrophobicContact CD1-CZ3 3.73Å; F571-W576 HydrophobicContact CE1-CD2 4.43Å; F571-W576 HydrophobicContact CE1-CE3 4.08Å; F571-W576 AromaticContact CE1-CH2 3.94Å; F571-W576 HydrophobicContact CE1-CH2 3.94Å; F571-W576 HydrophobicContact CE1-CZ2 4.3Å; F571-W576 AromaticContact CE1-CZ3 3.81Å; F571-W576 HydrophobicContact CE1-CZ3 3.81Å; F571-W576 HydrophobicContact CG-CD2 4.35Å; F571-W576 HydrophobicContact CG-CE3 4.44Å; F571-K587 HydrophobicContact CD1-CG 4.18Å; F571-K587 HydrophobicContact CE1-CB 4.37Å; F571-K587 HydrophobicContact CE1-CG 4.2Å; F571-K587 HydrophobicContact CZ-CB 4.3Å; F571-V590 HydrophobicContact CE1-CB 4.3Å; F571-V590 HydrophobicContact CE1-CG1 4.01Å; F571-V590 HydrophobicContact CZ-CB 4.29Å; F571-V590 HydrophobicContact CZ-CG1 4.1Å; F571-R591 HydrophobicContact CE2-CG 3.8Å; F571-R591 HydrophobicContact CZ-CG 3.92Å
572	P	92.9	Very high	89.3	Confident	52 Å²	52	70 Å²	70	34%	0.338	37%	0.37	S	S	.	.			trans	-77.4	139.8	-165.3	30.7	-36.7	0	0	0	113.3	F547 Y575 W576	F547-P572 HydrophobicContact CE2-CG 4.44Å; F547-P572 HydrophobicContact CZ-CG 3.73Å; P572-Y575 PolarHBondContact O-N 3.33Å; P572-W576 PolarHBondContact O-N 3.43Å
573	S	90.6	Very high	87.7	Confident	81 Å²	81	73.4 Å²	73.4	57%	0.566	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	151.5	168.6	-55.2	0	0	0	0	112	Y575 D577	S573-Y575 VanDerWaalsContact C-N 3.28Å; S573-D577 VanDerWaalsContact CA-OD1 3.24Å; S573-D577 WeakPolarHBondContact CA-OD1 3.37Å; S573-D577 WeakPolarHBondContact CB-OD1 3.22Å; S573-D577 WeakPolarHBondContact CB-OD2 3.44Å; S573-D577 PolarHBondContact OG-OD1 3.19Å
574	P	92.2	Very high	86.3	Confident	93 Å²	93	74 Å²	74	60%	0.604	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.6	-0.8	-4.4	34.8	-36.4	0	0	0	113.7	W576 D577	P574-W576 VanDerWaalsContact C-N 3.31Å; P574-W576 PolarHBondContact O-N 3.05Å; P574-D577 WeakPolarHBondContact CA-OD2 3.46Å; P574-D577 PolarHBondContact O-N 2.95Å
575	Y	90.8	Very high	85.9	Confident	127 Å²	127	75.9 Å²	75.9	50%	0.498	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-29.3	-166	-52.9	-84.5	0	0	0	114.2	F547 P572 S573	F547-Y575 HydrophobicContact CD1-CG 4.49Å; F547-Y575 HydrophobicContact CE1-CD1 4.08Å; F547-Y575 AromaticContact CE1-CD2 3.92Å; F547-Y575 HydrophobicContact CE1-CD2 3.92Å; F547-Y575 AromaticContact CE1-CG 3.65Å; F547-Y575 HydrophobicContact CE1-CG 3.65Å; F547-Y575 HydrophobicContact CZ-CD2 4.46Å; P572-Y575 PolarHBondContact O-N 3.33Å; S573-Y575 VanDerWaalsContact C-N 3.28Å
576	W	93.7	Very high	85.9	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	1.6	-177.6	-75	89.8	0	0	0	114.8	Y541 L544 C545 F571 P572 P574 S578 I579 K587	Y541-W576 AromaticContact CD1-CZ2 3.99Å; Y541-W576 HydrophobicContact CD1-CZ2 3.99Å; Y541-W576 AromaticContact CD2-CH2 3.94Å; Y541-W576 HydrophobicContact CD2-CH2 3.94Å; Y541-W576 AromaticContact CD2-CZ2 3.45Å; Y541-W576 HydrophobicContact CD2-CZ2 3.45Å; Y541-W576 VanDerWaalsContact CD2-CZ2 3.45Å; Y541-W576 AromaticContact CE1-CZ2 3.98Å; Y541-W576 HydrophobicContact CE1-CZ2 3.98Å; Y541-W576 AromaticContact CE2-CE2 3.78Å; Y541-W576 HydrophobicContact CE2-CH2 4.23Å; Y541-W576 AromaticContact CE2-CZ2 3.42Å; Y541-W576 HydrophobicContact CE2-CZ2 3.42Å; Y541-W576 VanDerWaalsContact CE2-CZ2 3.42Å; Y541-W576 AromaticContact CE2-NE1 3.9Å; Y541-W576 HydrophobicContact CG-CH2 4.27Å; Y541-W576 AromaticContact CG-CZ2 3.72Å; Y541-W576 HydrophobicContact CG-CZ2 3.72Å; Y541-W576 AromaticContact CZ-CE2 3.79Å; Y541-W576 AromaticContact CZ-CZ2 3.68Å; Y541-W576 AromaticContact CZ-NE1 3.47Å; Y541-W576 PolarHBondContact OH-NE1 3.12Å; L544-W576 HydrophobicContact CB-CH2 3.78Å; L544-W576 HydrophobicContact CB-CZ2 4.3Å; L544-W576 HydrophobicContact CB-CZ3 4.2Å; L544-W576 HydrophobicContact CD1-CH2 3.76Å; L544-W576 HydrophobicContact CD1-CZ3 3.86Å; L544-W576 HydrophobicContact CG-CH2 4.44Å; C545-W576 HydrophobicContact CB-CD2 4.44Å; C545-W576 HydrophobicContact CB-CZ2 3.89Å; C545-W576 VanDerWaalsContact CB-NE1 3.33Å; C545-W576 PolarHBondContact SG-NE1 2.91Å; C545-W576 VanDerWaalsContact SG-NE1 3.37Å; F571-W576 HydrophobicContact CB-CB 3.92Å; F571-W576 HydrophobicContact CB-CD2 4.19Å; F571-W576 HydrophobicContact CB-CG 3.86Å; F571-W576 AromaticContact CD1-CD2 3.55Å; F571-W576 HydrophobicContact CD1-CD2 3.55Å; F571-W576 AromaticContact CD1-CE2 3.79Å; F571-W576 AromaticContact CD1-CE3 3.51Å; F571-W576 HydrophobicContact CD1-CE3 3.51Å; F571-W576 HydrophobicContact CD1-CG 4.14Å; F571-W576 AromaticContact CD1-CH2 4Å; F571-W576 HydrophobicContact CD1-CH2 4Å; F571-W576 HydrophobicContact CD1-CZ2 4.04Å; F571-W576 AromaticContact CD1-CZ3 3.73Å; F571-W576 HydrophobicContact CD1-CZ3 3.73Å; F571-W576 HydrophobicContact CE1-CD2 4.43Å; F571-W576 HydrophobicContact CE1-CE3 4.08Å; F571-W576 AromaticContact CE1-CH2 3.94Å; F571-W576 HydrophobicContact CE1-CH2 3.94Å; F571-W576 HydrophobicContact CE1-CZ2 4.3Å; F571-W576 AromaticContact CE1-CZ3 3.81Å; F571-W576 HydrophobicContact CE1-CZ3 3.81Å; F571-W576 HydrophobicContact CG-CD2 4.35Å; F571-W576 HydrophobicContact CG-CE3 4.44Å; P572-W576 PolarHBondContact O-N 3.43Å; P574-W576 VanDerWaalsContact C-N 3.31Å; P574-W576 PolarHBondContact O-N 3.05Å; W576-S578 VanDerWaalsContact C-N 3.33Å; W576-S578 PolarHBondContact O-N 3.31Å; W576-I579 HydrophobicContact CD2-CD1 3.84Å; W576-I579 HydrophobicContact CE3-CB 3.91Å; W576-I579 HydrophobicContact CE3-CD1 3.56Å; W576-I579 HydrophobicContact CE3-CG1 4.33Å; W576-I579 HydrophobicContact CE3-CG2 3.7Å; W576-I579 HydrophobicContact CG-CD1 4.38Å; W576-I579 HydrophobicContact CZ3-CB 4.43Å; W576-I579 HydrophobicContact CZ3-CD1 3.98Å; W576-I579 HydrophobicContact CZ3-CG2 3.74Å; W576-I579 PolarHBondContact O-N 3.39Å; W576-K587 HydrophobicContact CE3-CG 3.86Å; W576-K587 HydrophobicContact CZ3-CG 4.02Å; W576-K587 WeakPolarHBondContact O-CE 3.47Å; W576-K587 PolarHBondContact O-NZ 3.27Å
577	D	89.7	Confident	85.9	Confident	98 Å²	98	65 Å²	65	52%	0.524	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.1	-176.2	-60.1	-0.8	0	0	0	111.4	S573 P574 I579	S573-D577 VanDerWaalsContact CA-OD1 3.24Å; S573-D577 WeakPolarHBondContact CA-OD1 3.37Å; S573-D577 WeakPolarHBondContact CB-OD1 3.22Å; S573-D577 WeakPolarHBondContact CB-OD2 3.44Å; S573-D577 PolarHBondContact OG-OD1 3.19Å; P574-D577 WeakPolarHBondContact CA-OD2 3.46Å; P574-D577 PolarHBondContact O-N 2.95Å; D577-I579 VanDerWaalsContact C-N 3.33Å; D577-I579 PolarHBondContact O-N 3.46Å
578	S	86.9	Confident	86	Confident	96 Å²	96	64.6 Å²	64.6	67%	0.671	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	13.5	179.6	80.1	0	0	0	0	114.3	W576	W576-S578 VanDerWaalsContact C-N 3.33Å; W576-S578 PolarHBondContact O-N 3.31Å
579	I	88.3	Confident	86.1	Confident	12 Å²	12	58.4 Å²	58.4	6%	0.062	32%	0.321	C	S	.	.	S	Bend	trans	-111.4	136.9	-176.1	-66.4	168.7	0	0	0	109.9	E448 L544 W576 D577 E581 A586 K587	E448-I579 WeakPolarHBondContact OE1-CA 3.42Å; L544-I579 HydrophobicContact CB-CD1 3.98Å; L544-I579 HydrophobicContact CD1-CG2 4.47Å; W576-I579 HydrophobicContact CD2-CD1 3.84Å; W576-I579 HydrophobicContact CE3-CB 3.91Å; W576-I579 HydrophobicContact CE3-CD1 3.56Å; W576-I579 HydrophobicContact CE3-CG1 4.33Å; W576-I579 HydrophobicContact CE3-CG2 3.7Å; W576-I579 HydrophobicContact CG-CD1 4.38Å; W576-I579 HydrophobicContact CZ3-CB 4.43Å; W576-I579 HydrophobicContact CZ3-CD1 3.98Å; W576-I579 HydrophobicContact CZ3-CG2 3.74Å; W576-I579 PolarHBondContact O-N 3.39Å; D577-I579 VanDerWaalsContact C-N 3.33Å; D577-I579 PolarHBondContact O-N 3.46Å; I579-E581 PolarHBondContact O-N 2.65Å; I579-A586 HydrophobicContact CG2-CB 3.76Å; I579-K587 HydrophobicContact CG2-CG 4.34Å; I579-K587 VanDerWaalsContact O-CE 3.23Å; I579-K587 WeakPolarHBondContact O-CE 3.14Å; I579-K587 PolarHBondContact O-NZ 3.43Å
580	S	79.9	Confident	86.3	Confident	30 Å²	30	56.6 Å²	56.6	21%	0.21	31%	0.311	C	S	.	.			trans	-53.6	132.4	-172.6	62.7	0	0	0	0	114	E448 A586 K587	E448-S580 PolarHBondContact OE1-N 3.13Å; E448-S580 PolarHBondContact OE1-OG 2.96Å; E448-S580 WeakPolarHBondContact OE2-CB 3.4Å; E448-S580 PolarHBondContact OE2-OG 3.43Å; S580-A586 WeakPolarHBondContact OG-CB 3.36Å; S580-A586 PolarHBondContact OG-N 3.42Å; S580-K587 WeakPolarHBondContact O-CG 3.17Å; S580-K587 PolarHBondContact O-N 2.9Å
581	E	71.9	Confident	86.4	Confident	113 Å²	113	55.9 Å²	55.9	53%	0.528	30%	0.304	S	S	.	.			trans	-118.5	134.9	-173.5	-171.6	91.8	-117	0	0	110.3	I579 K587 R591	I579-E581 PolarHBondContact O-N 2.65Å; E581-K587 HydrophobicContact CB-CD 4.1Å; E581-K587 HydrophobicContact CG-CD 4.27Å; E581-K587 VanDerWaalsContact OE1-CD 3.32Å; E581-K587 WeakPolarHBondContact OE1-CD 3.35Å; E581-K587 WeakPolarHBondContact OE2-CD 3.27Å; E581-K587 WeakPolarHBondContact OE2-CE 3.41Å; E581-K587 IonicContact OE2-NZ 2.98Å; E581-K587 PolarHBondContact OE2-NZ 2.87Å; E581-R591 IonicContact OE1-CZ 2.74Å; E581-R591 IonicContact OE1-NH1 2.62Å; E581-R591 PolarHBondContact OE1-NH1 2.91Å; E581-R591 IonicContact OE1-NH2 2.89Å; E581-R591 PolarHBondContact OE1-NH2 2.97Å
582	G	64.9	Low	86.6	Confident	28 Å²	28	55.7 Å²	55.7	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	147.3	168.3	-173.6	0	0	0	0	0	109.6	G588	G582-G588 WeakPolarHBondContact O-CA 3.36Å; G582-G588 PolarHBondContact O-N 2.99Å; G582-G588 VanDerWaalsContact O-N 3.14Å
583	Q	57.2	Low	86.8	Confident	176 Å²	176	53.2 Å²	53.2	82%	0.822	29%	0.292	S	S	*	.	S	Bend	trans	-76.9	-27.4	172.5	-69.9	-170.5	0.4	0	0	112.3	E585	Q583-E585 VanDerWaalsContact C-N 3.34Å
584	T	64.4	Low	87.2	Confident	77 Å²	77	49.7 Å²	49.7	47%	0.472	27%	0.266	S	S	.	.	S	Bend	trans	-83.1	-8	178.5	51.2	0	0	0	0	114.2	H610 W612	T584-H610 PolarHBondContact O-CE1 2.92Å; T584-W612 WeakPolarHBondContact O-CB 3.43Å; T584-W612 PolarHBondContact O-N 2.79Å
585	E	85.8	Confident	87.4	Confident	39 Å²	39	49.3 Å²	49.3	18%	0.182	26%	0.255	C	S	.	.	S	Bend	trans	-111.7	-175.8	-166.3	-56.7	-42.6	120.7	0	0	112.8	Q583 K587 G588 L589 H611	Q583-E585 VanDerWaalsContact C-N 3.34Å; E585-K587 PolarHBondContact O-N 2.82Å; E585-G588 WeakPolarHBondContact O-CA 3.34Å; E585-G588 PolarHBondContact O-N 3.48Å; E585-L589 PolarHBondContact O-N 2.91Å; E585-H611 IonicContact OE1-CE1 2.68Å; E585-H611 IonicContact OE1-ND1 2.99Å; E585-H611 PolarHBondContact OE1-ND1 3.33Å
586	A	91.4	Very high	87.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-52.8	-52.7	-170.9	0	0	0	0	0	113.4	L544 I579 S580 G588 L589 V590 W612	L544-A586 HydrophobicContact CD1-CB 4.01Å; I579-A586 HydrophobicContact CG2-CB 3.76Å; S580-A586 WeakPolarHBondContact OG-CB 3.36Å; S580-A586 PolarHBondContact OG-N 3.42Å; A586-G588 PolarHBondContact O-N 3.26Å; A586-L589 PolarHBondContact O-N 2.79Å; A586-V590 WeakPolarHBondContact O-CG2 3.37Å; A586-V590 PolarHBondContact O-N 3.37Å; A586-W612 HydrophobicContact CB-CD2 4.38Å; A586-W612 HydrophobicContact CB-CZ2 3.93Å
587	K	93.7	Very high	87.8	Confident	12 Å²	12	49.7 Å²	49.7	5%	0.052	27%	0.269	C	S	.	.	H	α-helix	trans	-64	-28.2	178	-66.1	167.6	179.4	158.9	0	112.4	F571 W576 I579 S580 E581 E585 R591	F571-K587 HydrophobicContact CD1-CG 4.18Å; F571-K587 HydrophobicContact CE1-CB 4.37Å; F571-K587 HydrophobicContact CE1-CG 4.2Å; F571-K587 HydrophobicContact CZ-CB 4.3Å; W576-K587 HydrophobicContact CE3-CG 3.86Å; W576-K587 HydrophobicContact CZ3-CG 4.02Å; W576-K587 WeakPolarHBondContact O-CE 3.47Å; W576-K587 PolarHBondContact O-NZ 3.27Å; I579-K587 HydrophobicContact CG2-CG 4.34Å; I579-K587 VanDerWaalsContact O-CE 3.23Å; I579-K587 WeakPolarHBondContact O-CE 3.14Å; I579-K587 PolarHBondContact O-NZ 3.43Å; S580-K587 WeakPolarHBondContact O-CG 3.17Å; S580-K587 PolarHBondContact O-N 2.9Å; E581-K587 HydrophobicContact CB-CD 4.1Å; E581-K587 HydrophobicContact CG-CD 4.27Å; E581-K587 VanDerWaalsContact OE1-CD 3.32Å; E581-K587 WeakPolarHBondContact OE1-CD 3.35Å; E581-K587 WeakPolarHBondContact OE2-CD 3.27Å; E581-K587 WeakPolarHBondContact OE2-CE 3.41Å; E581-K587 IonicContact OE2-NZ 2.98Å; E581-K587 PolarHBondContact OE2-NZ 2.87Å; E585-K587 PolarHBondContact O-N 2.82Å; K587-R591 WeakPolarHBondContact O-CB 3.33Å; K587-R591 WeakPolarHBondContact O-CD 3.48Å; K587-R591 WeakPolarHBondContact O-CG 3.49Å; K587-R591 PolarHBondContact O-N 3.32Å
588	G	94.3	Very high	88.1	Confident	3 Å²	3	47.4 Å²	47.4	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-70.6	-45.9	175.2	0	0	0	0	0	112.8	G582 E585 A586 R591 S592	G582-G588 WeakPolarHBondContact O-CA 3.36Å; G582-G588 PolarHBondContact O-N 2.99Å; G582-G588 VanDerWaalsContact O-N 3.14Å; E585-G588 WeakPolarHBondContact O-CA 3.34Å; E585-G588 PolarHBondContact O-N 3.48Å; A586-G588 PolarHBondContact O-N 3.26Å; G588-R591 PolarHBondContact O-N 2.8Å; G588-S592 PolarHBondContact O-N 3.17Å; G588-S592 PolarHBondContact O-OG 2.87Å
589	L	96.9	Very high	88.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-51.4	173.7	-179.9	57.2	0	0	0	110.6	V455 L540 E585 A586 R591 S592 L593 L602 I607 H610 W612 V613	V455-L589 HydrophobicContact CG1-CD2 4.48Å; L540-L589 HydrophobicContact CD2-CB 4.47Å; L540-L589 HydrophobicContact CD2-CD2 3.66Å; L540-L589 HydrophobicContact CD2-CG 3.9Å; E585-L589 PolarHBondContact O-N 2.91Å; A586-L589 PolarHBondContact O-N 2.79Å; L589-R591 VanDerWaalsContact C-N 3.34Å; L589-R591 PolarHBondContact O-N 3.03Å; L589-S592 CarbonylContact O-C 3.56Å; L589-S592 WeakPolarHBondContact O-CA 3.43Å; L589-S592 WeakPolarHBondContact O-CB 3.08Å; L589-S592 PolarHBondContact O-N 3.31Å; L589-L593 HydrophobicContact CD1-CD1 4.32Å; L589-L593 HydrophobicContact CD1-CD2 3.86Å; L589-L593 HydrophobicContact CD1-CG 4.02Å; L589-L593 HydrophobicContact CG-CD1 4.17Å; L589-L593 HydrophobicContact CG-CG 4.21Å; L589-L593 WeakPolarHBondContact O-CG 3.27Å; L589-L593 PolarHBondContact O-N 2.65Å; L589-L602 HydrophobicContact CD1-CD1 3.88Å; L589-I607 HydrophobicContact CD1-CG2 4.37Å; L589-H610 HydrophobicContact CD1-CB 4.42Å; L589-W612 HydrophobicContact CD2-CE3 3.55Å; L589-W612 HydrophobicContact CD2-CZ3 3.89Å; L589-V613 HydrophobicContact CD2-CG2 3.54Å
590	V	97.9	Very high	88.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-43	-178.9	177.6	0	0	0	0	112.1	L540 Y541 L544 L569 F571 A586 S592 L593 L594	L540-V590 HydrophobicContact CB-CG2 4.49Å; L540-V590 HydrophobicContact CD2-CG2 3.55Å; L540-V590 HydrophobicContact CG-CG2 3.69Å; Y541-V590 HydrophobicContact CD2-CG1 3.93Å; L544-V590 HydrophobicContact CD1-CG2 4.32Å; L569-V590 HydrophobicContact CD2-CG1 4.17Å; F571-V590 HydrophobicContact CE1-CB 4.3Å; F571-V590 HydrophobicContact CE1-CG1 4.01Å; F571-V590 HydrophobicContact CZ-CB 4.29Å; F571-V590 HydrophobicContact CZ-CG1 4.1Å; A586-V590 WeakPolarHBondContact O-CG2 3.37Å; A586-V590 PolarHBondContact O-N 3.37Å; V590-S592 PolarHBondContact O-N 3.3Å; V590-L593 PolarHBondContact O-N 2.92Å; V590-L594 HydrophobicContact CG1-CD1 3.92Å; V590-L594 WeakPolarHBondContact O-CB 3.4Å; V590-L594 PolarHBondContact O-N 3.16Å
591	R	96.8	Very high	89.8	Confident	98 Å²	98	51.1 Å²	51.1	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-18.1	173	-73.2	168	-176.3	127.7	-2.4	114	L569 F571 E581 K587 G588 L589 K595	L569-R591 HydrophobicContact CD2-CG 4.01Å; F571-R591 HydrophobicContact CE2-CG 3.8Å; F571-R591 HydrophobicContact CZ-CG 3.92Å; E581-R591 IonicContact OE1-CZ 2.74Å; E581-R591 IonicContact OE1-NH1 2.62Å; E581-R591 PolarHBondContact OE1-NH1 2.91Å; E581-R591 IonicContact OE1-NH2 2.89Å; E581-R591 PolarHBondContact OE1-NH2 2.97Å; K587-R591 WeakPolarHBondContact O-CB 3.33Å; K587-R591 WeakPolarHBondContact O-CD 3.48Å; K587-R591 WeakPolarHBondContact O-CG 3.49Å; K587-R591 PolarHBondContact O-N 3.32Å; G588-R591 PolarHBondContact O-N 2.8Å; L589-R591 VanDerWaalsContact C-N 3.34Å; L589-R591 PolarHBondContact O-N 3.03Å; R591-K595 VanDerWaalsContact O-CE 3.27Å; R591-K595 WeakPolarHBondContact O-CE 3.24Å
592	S	97.3	Very high	91	Very high	34 Å²	34	47.4 Å²	47.4	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-100.3	-25.8	-178.2	-51.9	0	0	0	0	112.8	G588 L589 V590 L602	G588-S592 PolarHBondContact O-N 3.17Å; G588-S592 PolarHBondContact O-OG 2.87Å; L589-S592 CarbonylContact O-C 3.56Å; L589-S592 WeakPolarHBondContact O-CA 3.43Å; L589-S592 WeakPolarHBondContact O-CB 3.08Å; L589-S592 PolarHBondContact O-N 3.31Å; V590-S592 PolarHBondContact O-N 3.3Å; S592-L602 PolarHBondContact O-N 2.88Å
593	L	98.3	Very high	92.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-77.9	-38.2	169.1	-54.4	-170.8	0	0	0	111.8	V533 L536 L540 L589 V590 K595 R601 L602 I607	V533-L593 HydrophobicContact CG1-CB 4.43Å; V533-L593 HydrophobicContact CG1-CD2 3.79Å; L536-L593 HydrophobicContact CG-CD1 4.4Å; L540-L593 HydrophobicContact CD2-CD1 4.09Å; L589-L593 HydrophobicContact CD1-CD1 4.32Å; L589-L593 HydrophobicContact CD1-CD2 3.86Å; L589-L593 HydrophobicContact CD1-CG 4.02Å; L589-L593 HydrophobicContact CG-CD1 4.17Å; L589-L593 HydrophobicContact CG-CG 4.21Å; L589-L593 WeakPolarHBondContact O-CG 3.27Å; L589-L593 PolarHBondContact O-N 2.65Å; V590-L593 PolarHBondContact O-N 2.92Å; L593-K595 VanDerWaalsContact C-N 3.29Å; L593-K595 PolarHBondContact O-N 3.2Å; L593-R601 VanDerWaalsContact O-CD 3.26Å; L593-R601 WeakPolarHBondContact O-CD 3.36Å; L593-R601 VanDerWaalsContact O-CG 3.27Å; L593-R601 WeakPolarHBondContact O-CG 3.4Å; L593-L602 HydrophobicContact CD2-CB 4.27Å; L593-L602 HydrophobicContact CD2-CD1 4.11Å; L593-I607 HydrophobicContact CD2-CD1 3.46Å; L593-I607 VanDerWaalsContact CD2-CD1 3.46Å; L593-I607 HydrophobicContact CD2-CG1 3.64Å
594	L	98.2	Very high	94.6	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.031	23%	0.227	C	C	.	.	S	Bend	trans	-92.9	38.6	-178.9	-62.5	178.9	0	0	0	112.9	W534 V538 P549 F550 L569 V590	W534-L594 HydrophobicContact CD2-CD2 3.78Å; W534-L594 HydrophobicContact CE3-CB 4.4Å; W534-L594 HydrophobicContact CE3-CD2 3.91Å; W534-L594 HydrophobicContact CG-CD2 4.25Å; W534-L594 HydrophobicContact CH2-CD2 4.41Å; W534-L594 HydrophobicContact CZ2-CD2 4.29Å; W534-L594 HydrophobicContact CZ3-CB 4.16Å; W534-L594 HydrophobicContact CZ3-CD2 4.23Å; W534-L594 WeakPolarHBondContact CZ3-O 3.48Å; W534-L594 WeakPolarHBondContact O-CD2 3.12Å; V538-L594 HydrophobicContact CG2-CD2 3.85Å; P549-L594 HydrophobicContact CB-CD1 4.47Å; P549-L594 HydrophobicContact CG-CD1 4.13Å; F550-L594 HydrophobicContact CE2-CD1 4.48Å; L569-L594 HydrophobicContact CD1-CD1 3.79Å; L569-L594 HydrophobicContact CD2-CB 4.24Å; L569-L594 HydrophobicContact CD2-CD1 4.2Å; V590-L594 HydrophobicContact CG1-CD1 3.92Å; V590-L594 WeakPolarHBondContact O-CB 3.4Å; V590-L594 PolarHBondContact O-N 3.16Å
595	K	97.6	Very high	96.2	Very high	85 Å²	85	42.4 Å²	42.4	37%	0.37	23%	0.229	S	C	.	.			trans	-75.7	126.6	169.1	-70.4	-67.3	-173.3	179.3	0	109.9	R591 L593 V600 R601	R591-K595 VanDerWaalsContact O-CE 3.27Å; R591-K595 WeakPolarHBondContact O-CE 3.24Å; L593-K595 VanDerWaalsContact C-N 3.29Å; L593-K595 PolarHBondContact O-N 3.2Å; K595-V600 HydrophobicContact CB-CG2 4.31Å; K595-V600 HydrophobicContact CD-CG2 4.46Å; K595-V600 HydrophobicContact CG-CG2 4.41Å; K595-R601 HydrophobicContact CB-CB 4.03Å; K595-R601 HydrophobicContact CB-CG 4.28Å; K595-R601 VanDerWaalsContact O-CZ 3.29Å; K595-R601 PolarHBondContact O-NE 3.39Å; K595-R601 PolarHBondContact O-NH2 3.29Å
596	P	96	Very high	96.8	Very high	65 Å²	65	44.8 Å²	44.8	42%	0.422	24%	0.24	S	C	.	.	S	Bend	trans	-66.5	-39.3	179.4	22.3	-30.8	0	0	0	112.6	P519 A567 P598 R601	P519-P596 HydrophobicContact CG-CB 4.15Å; A567-P596 HydrophobicContact CB-CB 3.72Å; A567-P596 HydrophobicContact CB-CG 3.95Å; P596-P598 WeakPolarHBondContact O-CD 3.35Å; P596-R601 PolarHBondContact O-NH2 3.41Å
597	D	96	Very high	97.1	Very high	72 Å²	72	44.8 Å²	44.8	39%	0.385	24%	0.24	S	C	.	.	S	Bend	trans	-73.5	117.4	169.6	173.5	-0.6	0	0	0	109.8	T599 V600 R601	D597-T599 VanDerWaalsContact C-N 3.25Å; D597-T599 VanDerWaalsContact CG-OG1 3.29Å; D597-T599 PolarHBondContact O-N 3Å; D597-T599 WeakPolarHBondContact OD1-CB 3.44Å; D597-T599 PolarHBondContact OD1-N 3.14Å; D597-T599 PolarHBondContact OD1-OG1 3.3Å; D597-T599 PolarHBondContact OD2-OG1 2.93Å; D597-V600 HydrophobicContact CB-CG2 3.9Å; D597-R601 PolarHBondContact O-N 3.42Å
598	P	96.3	Very high	97.2	Very high	49 Å²	49	46 Å²	46	32%	0.318	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-14.2	-178.5	30.4	-35.6	0	0	0	113.7	A530 P596	A530-P598 HydrophobicContact CB-CB 3.79Å; P596-P598 WeakPolarHBondContact O-CD 3.35Å
599	T	95.6	Very high	97.3	Very high	118 Å²	118	51.3 Å²	51.3	72%	0.724	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.9	-179.8	71.3	0	0	0	0	113.3	D597	D597-T599 VanDerWaalsContact C-N 3.25Å; D597-T599 VanDerWaalsContact CG-OG1 3.29Å; D597-T599 PolarHBondContact O-N 3Å; D597-T599 WeakPolarHBondContact OD1-CB 3.44Å; D597-T599 PolarHBondContact OD1-N 3.14Å; D597-T599 PolarHBondContact OD1-OG1 3.3Å; D597-T599 PolarHBondContact OD2-OG1 2.93Å
600	V	96.8	Very high	97.3	Very high	89 Å²	89	52.7 Å²	52.7	54%	0.539	28%	0.277	S	S	.	.	S	Bend	trans	-110.6	6.3	174.5	-56.3	0	0	0	0	113	K595 D597	K595-V600 HydrophobicContact CB-CG2 4.31Å; K595-V600 HydrophobicContact CD-CG2 4.46Å; K595-V600 HydrophobicContact CG-CG2 4.41Å; D597-V600 HydrophobicContact CB-CG2 3.9Å
601	R	97.9	Very high	97.1	Very high	9 Å²	9	57.9 Å²	57.9	3%	0.034	30%	0.301	C	S	.	.	S	Bend	trans	-78.7	145.8	169.9	-163.5	-177.9	-60.8	153.2	4.8	108.8	E520 A530 V533 L593 K595 P596 D597	E520-R601 IonicContact OE1-CZ 3.22Å; E520-R601 IonicContact OE1-NH1 3.21Å; E520-R601 PolarHBondContact OE1-NH1 3.19Å; E520-R601 IonicContact OE1-NH2 3.71Å; E520-R601 PolarHBondContact OE1-NH2 3.33Å; E520-R601 IonicContact OE2-CZ 3.57Å; E520-R601 IonicContact OE2-NH1 2.65Å; E520-R601 IonicContact OE2-NH2 3.92Å; E520-R601 PolarHBondContact OE2-NH2 3.27Å; A530-R601 PolarHBondContact O-NH1 3.15Å; V533-R601 HydrophobicContact CG1-CG 4.16Å; L593-R601 VanDerWaalsContact O-CD 3.26Å; L593-R601 WeakPolarHBondContact O-CD 3.36Å; L593-R601 VanDerWaalsContact O-CG 3.27Å; L593-R601 WeakPolarHBondContact O-CG 3.4Å; K595-R601 HydrophobicContact CB-CB 4.03Å; K595-R601 HydrophobicContact CB-CG 4.28Å; K595-R601 VanDerWaalsContact O-CZ 3.29Å; K595-R601 PolarHBondContact O-NE 3.39Å; K595-R601 PolarHBondContact O-NH2 3.29Å; P596-R601 PolarHBondContact O-NH2 3.41Å; D597-R601 PolarHBondContact O-N 3.42Å
602	L	98.1	Very high	97	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.188	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-63.1	150.2	179.5	-61.8	-178.5	0	0	0	112.2	V533 L589 S592 L593 Q606 I607	V533-L602 WeakPolarHBondContact CG1-O 3.45Å; L589-L602 HydrophobicContact CD1-CD1 3.88Å; S592-L602 PolarHBondContact O-N 2.88Å; L593-L602 HydrophobicContact CD2-CB 4.27Å; L593-L602 HydrophobicContact CD2-CD1 4.11Å; L602-Q606 HydrophobicContact CB-CB 4.24Å; L602-Q606 HydrophobicContact CD2-CB 4.22Å; L602-I607 HydrophobicContact CB-CG1 4.13Å; L602-I607 HydrophobicContact CD1-CG1 4.35Å
603	T	98.6	Very high	96.9	Very high	65 Å²	65	51.7 Å²	51.7	40%	0.399	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-83.8	160.5	164.2	67.6	0	0	0	0	111	E605 Q606 I607	T603-E605 VanDerWaalsContact C-N 3.32Å; T603-E605 PolarHBondContact O-N 2.73Å; T603-Q606 WeakPolarHBondContact O-CB 3.41Å; T603-Q606 PolarHBondContact O-N 2.61Å; T603-Q606 VanDerWaalsContact OG1-CG 3.25Å; T603-Q606 WeakPolarHBondContact OG1-CG 3.34Å; T603-Q606 PolarHBondContact OG1-N 2.88Å; T603-I607 WeakPolarHBondContact O-CG1 3.38Å; T603-I607 PolarHBondContact O-N 2.87Å; T603-I607 VanDerWaalsContact O-N 3.1Å
604	A	98.3	Very high	96.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-43	177.1	0	0	0	0	0	112.7	L462 D463 Q606 I607 L608	L462-A604 HydrophobicContact CB-CB 3.79Å; D463-A604 HydrophobicContact CB-CB 3.81Å; A604-Q606 PolarHBondContact O-N 3.45Å; A604-I607 WeakPolarHBondContact O-CB 3.28Å; A604-I607 PolarHBondContact O-N 3.46Å; A604-L608 PolarHBondContact O-N 3.44Å
605	E	97.9	Very high	96.3	Very high	110 Å²	110	57.3 Å²	57.3	51%	0.514	30%	0.303	S	S	.	.	H	α-helix	trans	-49.7	-51.2	168.3	-175.1	-169.9	-160	0	0	112.3	D463 T603 I607 L608 Q609	D463-E605 WeakPolarHBondContact OD1-CB 3.31Å; D463-E605 PolarHBondContact OD1-N 3.39Å; T603-E605 VanDerWaalsContact C-N 3.32Å; T603-E605 PolarHBondContact O-N 2.73Å; E605-I607 VanDerWaalsContact C-N 3.27Å; E605-I607 PolarHBondContact O-N 3.26Å; E605-L608 WeakPolarHBondContact O-CB 3.2Å; E605-L608 PolarHBondContact O-N 2.77Å; E605-L608 VanDerWaalsContact O-N 3.12Å; E605-Q609 WeakPolarHBondContact O-CG 3.38Å; E605-Q609 PolarHBondContact O-N 3.04Å
606	Q	98.2	Very high	96	Very high	89 Å²	89	54.7 Å²	54.7	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-29.9	-178.2	-71.2	167	-4.6	0	0	112.8	L602 T603 A604 Q609 H610	L602-Q606 HydrophobicContact CB-CB 4.24Å; L602-Q606 HydrophobicContact CD2-CB 4.22Å; T603-Q606 WeakPolarHBondContact O-CB 3.41Å; T603-Q606 PolarHBondContact O-N 2.61Å; T603-Q606 VanDerWaalsContact OG1-CG 3.25Å; T603-Q606 WeakPolarHBondContact OG1-CG 3.34Å; T603-Q606 PolarHBondContact OG1-N 2.88Å; A604-Q606 PolarHBondContact O-N 3.45Å; Q606-Q609 PolarHBondContact O-N 2.95Å; Q606-H610 PolarHBondContact O-N 3.44Å; Q606-H610 VanDerWaalsContact O-N 3.1Å
607	I	98.1	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-44.5	173.5	-56.8	170	0	0	0	110.4	V455 S459 V533 L536 L589 L593 L602 T603 A604 E605 Q609 H610 V613	V455-I607 HydrophobicContact CG1-CG2 3.68Å; S459-I607 WeakPolarHBondContact OG-CG2 3.19Å; V533-I607 HydrophobicContact CG1-CD1 3.87Å; L536-I607 HydrophobicContact CD2-CD1 3.91Å; L589-I607 HydrophobicContact CD1-CG2 4.37Å; L593-I607 HydrophobicContact CD2-CD1 3.46Å; L593-I607 VanDerWaalsContact CD2-CD1 3.46Å; L593-I607 HydrophobicContact CD2-CG1 3.64Å; L602-I607 HydrophobicContact CB-CG1 4.13Å; L602-I607 HydrophobicContact CD1-CG1 4.35Å; T603-I607 WeakPolarHBondContact O-CG1 3.38Å; T603-I607 PolarHBondContact O-N 2.87Å; T603-I607 VanDerWaalsContact O-N 3.1Å; A604-I607 WeakPolarHBondContact O-CB 3.28Å; A604-I607 PolarHBondContact O-N 3.46Å; E605-I607 VanDerWaalsContact C-N 3.27Å; E605-I607 PolarHBondContact O-N 3.26Å; I607-Q609 PolarHBondContact O-N 3.47Å; I607-H610 VanDerWaalsContact O-CB 3.27Å; I607-H610 WeakPolarHBondContact O-CB 3.15Å; I607-H610 PolarHBondContact O-N 3.35Å; I607-H610 VanDerWaalsContact O-N 3.09Å; I607-V613 HydrophobicContact CG2-CG2 3.99Å; I607-V613 WeakPolarHBondContact O-CG2 3.32Å
608	L	96.9	Very high	94.6	Very high	38 Å²	38	52 Å²	52	20%	0.199	28%	0.282	C	S	.	.	H	α-helix	trans	-62	-29.1	174	-64.3	170.8	0	0	0	112.1	E460 D463 A604 E605 K614	E460-L608 HydrophobicContact CG-CD2 3.96Å; D463-L608 HydrophobicContact CB-CD1 4.28Å; A604-L608 PolarHBondContact O-N 3.44Å; E605-L608 WeakPolarHBondContact O-CB 3.2Å; E605-L608 PolarHBondContact O-N 2.77Å; E605-L608 VanDerWaalsContact O-N 3.12Å; L608-K614 WeakPolarHBondContact O-CE 3.23Å
609	Q	96.4	Very high	93.9	Very high	113 Å²	113	52 Å²	52	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-80	-17.7	175.1	-59.3	-50.9	-32.2	0	0	114.6	E605 Q606 I607 K614	E605-Q609 WeakPolarHBondContact O-CG 3.38Å; E605-Q609 PolarHBondContact O-N 3.04Å; Q606-Q609 PolarHBondContact O-N 2.95Å; I607-Q609 PolarHBondContact O-N 3.47Å; Q609-K614 WeakPolarHBondContact O-CE 3.17Å; Q609-K614 PolarHBondContact O-NZ 2.62Å
610	H	96.1	Very high	92.8	Very high	30 Å²	30	46.7 Å²	46.7	14%	0.139	25%	0.248	C	C	.	.			trans	-64.8	139.6	-172.2	-167.1	-88	0	0	0	113.5	T584 L589 Q606 I607 W612 V613 K614	T584-H610 PolarHBondContact O-CE1 2.92Å; L589-H610 HydrophobicContact CD1-CB 4.42Å; Q606-H610 PolarHBondContact O-N 3.44Å; Q606-H610 VanDerWaalsContact O-N 3.1Å; I607-H610 VanDerWaalsContact O-CB 3.27Å; I607-H610 WeakPolarHBondContact O-CB 3.15Å; I607-H610 PolarHBondContact O-N 3.35Å; I607-H610 VanDerWaalsContact O-N 3.09Å; H610-W612 PolarHBondContact ND1-N 3.15Å; H610-W612 PolarHBondContact O-N 3.47Å; H610-V613 HydrophobicContact CB-CG2 4.17Å; H610-V613 PolarHBondContact O-N 2.88Å; H610-K614 PolarHBondContact O-N 3.35Å; H610-K614 VanDerWaalsContact O-N 3.16Å
611	H	93.8	Very high	91.6	Very high	109 Å²	109	45.2 Å²	45.2	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-52	-57.9	-175.1	177.5	-110.6	0	0	0	112.7	E585 V613 K614 A615	E585-H611 IonicContact OE1-CE1 2.68Å; E585-H611 IonicContact OE1-ND1 2.99Å; E585-H611 PolarHBondContact OE1-ND1 3.33Å; H611-V613 VanDerWaalsContact C-N 3.32Å; H611-V613 PolarHBondContact O-N 3.33Å; H611-K614 PolarHBondContact O-N 3.19Å; H611-A615 WeakPolarHBondContact O-CB 3.1Å; H611-A615 PolarHBondContact O-N 3.44Å
612	W	95.2	Very high	89.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-54.3	-42.2	179.1	-174	82	0	0	0	114.1	E448 A451 G452 L540 L544 T584 A586 L589 H610 A615 M616	E448-W612 HydrophobicContact CB-CZ2 3.81Å; E448-W612 HydrophobicContact CG-CZ2 4.04Å; E448-W612 PolarHBondContact OE2-NE1 2.87Å; A451-W612 HydrophobicContact CB-CH2 4.34Å; G452-W612 VanDerWaalsContact CA-CZ3 3.5Å; L540-W612 HydrophobicContact CD1-CH2 3.66Å; L540-W612 HydrophobicContact CD1-CZ3 3.94Å; L540-W612 HydrophobicContact CD2-CZ3 4.28Å; L544-W612 HydrophobicContact CD2-CH2 4.49Å; L544-W612 HydrophobicContact CD2-CZ2 4.26Å; T584-W612 WeakPolarHBondContact O-CB 3.43Å; T584-W612 PolarHBondContact O-N 2.79Å; A586-W612 HydrophobicContact CB-CD2 4.38Å; A586-W612 HydrophobicContact CB-CZ2 3.93Å; L589-W612 HydrophobicContact CD2-CE3 3.55Å; L589-W612 HydrophobicContact CD2-CZ3 3.89Å; H610-W612 PolarHBondContact ND1-N 3.15Å; H610-W612 PolarHBondContact O-N 3.47Å; W612-A615 PolarHBondContact O-N 2.89Å; W612-M616 HydrophobicContact CD2-CG 3.89Å; W612-M616 HydrophobicContact CE3-CG 4.49Å; W612-M616 HydrophobicContact CG-CG 4.23Å; W612-M616 HydrophobicContact CZ2-CG 3.9Å; W612-M616 VanDerWaalsContact O-CB 3.31Å; W612-M616 WeakPolarHBondContact O-CB 3.19Å; W612-M616 VanDerWaalsContact O-CG 3.28Å; W612-M616 WeakPolarHBondContact O-CG 3.33Å; W612-M616 PolarHBondContact O-N 2.84Å
613	V	95.1	Very high	88.1	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	29%	0.291	C	S	.	.	H	α-helix	trans	-65.6	-48.3	-178.2	-178.5	0	0	0	0	110	V455 L589 I607 H610 H611 A615 M616 A617	V455-V613 HydrophobicContact CG1-CG2 4.2Å; L589-V613 HydrophobicContact CD2-CG2 3.54Å; I607-V613 HydrophobicContact CG2-CG2 3.99Å; I607-V613 WeakPolarHBondContact O-CG2 3.32Å; H610-V613 HydrophobicContact CB-CG2 4.17Å; H610-V613 PolarHBondContact O-N 2.88Å; H611-V613 VanDerWaalsContact C-N 3.32Å; H611-V613 PolarHBondContact O-N 3.33Å; V613-A615 PolarHBondContact O-N 3.48Å; V613-M616 PolarHBondContact O-N 3.45Å; V613-A617 WeakPolarHBondContact O-CB 3.22Å; V613-A617 PolarHBondContact O-N 2.9Å
614	K	93.1	Very high	86	Confident	95 Å²	95	56 Å²	56	41%	0.413	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-44.2	175.7	-74.6	173.4	172	159.9	0	112.5	L608 Q609 H610 H611 S618	L608-K614 WeakPolarHBondContact O-CE 3.23Å; Q609-K614 WeakPolarHBondContact O-CE 3.17Å; Q609-K614 PolarHBondContact O-NZ 2.62Å; H610-K614 PolarHBondContact O-N 3.35Å; H610-K614 VanDerWaalsContact O-N 3.16Å; H611-K614 PolarHBondContact O-N 3.19Å; K614-S618 VanDerWaalsContact O-CB 3.27Å; K614-S618 WeakPolarHBondContact O-CB 3.37Å; K614-S618 PolarHBondContact O-N 3.25Å; K614-S618 PolarHBondContact O-OG 3.34Å
615	A	91	Very high	83.7	Confident	30 Å²	30	63.1 Å²	63.1	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-62.8	-52.4	178	0	0	0	0	0	111.4	H611 W612 V613 S618 V619	H611-A615 WeakPolarHBondContact O-CB 3.1Å; H611-A615 PolarHBondContact O-N 3.44Å; W612-A615 PolarHBondContact O-N 2.89Å; V613-A615 PolarHBondContact O-N 3.48Å; A615-S618 PolarHBondContact O-N 3.43Å; A615-V619 WeakPolarHBondContact O-CG2 3.41Å; A615-V619 PolarHBondContact O-N 3.07Å
616	M	90	Very high	81.1	Confident	29 Å²	29	62.9 Å²	62.9	14%	0.143	33%	0.331	C	S	.	.	H	α-helix	trans	-64.7	-42.9	-178.7	-71	-47.2	112.6	0	0	112.7	E448 P449 W612 V613 S618 V619 C620	E448-M616 VanDerWaalsContact C-SD 3.58Å; E448-M616 HydrophobicContact CB-CG 4.37Å; E448-M616 HydrophobicContact CB-SD 3.77Å; E448-M616 WeakPolarHBondContact O-CG 3.39Å; P449-M616 HydrophobicContact CB-SD 4.27Å; P449-M616 HydrophobicContact CG-SD 3.82Å; W612-M616 HydrophobicContact CD2-CG 3.89Å; W612-M616 HydrophobicContact CE3-CG 4.49Å; W612-M616 HydrophobicContact CG-CG 4.23Å; W612-M616 HydrophobicContact CZ2-CG 3.9Å; W612-M616 VanDerWaalsContact O-CB 3.31Å; W612-M616 WeakPolarHBondContact O-CB 3.19Å; W612-M616 VanDerWaalsContact O-CG 3.28Å; W612-M616 WeakPolarHBondContact O-CG 3.33Å; W612-M616 PolarHBondContact O-N 2.84Å; V613-M616 PolarHBondContact O-N 3.45Å; M616-S618 VanDerWaalsContact C-N 3.32Å; M616-S618 PolarHBondContact O-N 3.48Å; M616-V619 PolarHBondContact O-N 3.49Å; M616-C620 WeakPolarHBondContact O-CB 3.29Å; M616-C620 PolarHBondContact O-N 3.15Å
617	A	81.1	Confident	78.4	Confident	19 Å²	19	65.1 Å²	65.1	16%	0.157	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-44.4	174.4	0	0	0	0	0	111.3	R453 V613 C620 S621	R453-A617 PolarHBondContact NH2-O 2.98Å; V613-A617 WeakPolarHBondContact O-CB 3.22Å; V613-A617 PolarHBondContact O-N 2.9Å; A617-C620 PolarHBondContact O-N 2.92Å; A617-S621 PolarHBondContact O-N 2.7Å; A617-S621 PolarHBondContact O-OG 3.06Å
618	S	82.5	Confident	75.8	Confident	63 Å²	63	75.2 Å²	75.2	44%	0.441	39%	0.39	S	S	.	.	H	α-helix	trans	-63.1	-49.7	178.7	-61	0	0	0	0	112.7	K614 A615 M616 C620 S621 Q622	K614-S618 VanDerWaalsContact O-CB 3.27Å; K614-S618 WeakPolarHBondContact O-CB 3.37Å; K614-S618 PolarHBondContact O-N 3.25Å; K614-S618 PolarHBondContact O-OG 3.34Å; A615-S618 PolarHBondContact O-N 3.43Å; M616-S618 VanDerWaalsContact C-N 3.32Å; M616-S618 PolarHBondContact O-N 3.48Å; S618-C620 VanDerWaalsContact C-N 3.25Å; S618-C620 PolarHBondContact O-N 3.04Å; S618-S621 WeakPolarHBondContact O-CB 3.46Å; S618-S621 PolarHBondContact O-N 3.22Å; S618-S621 VanDerWaalsContact O-N 3.08Å; S618-Q622 WeakPolarHBondContact O-CG 3.42Å; S618-Q622 PolarHBondContact O-N 3.33Å
619	V	82	Confident	73.4	Confident	47 Å²	47	79.3 Å²	79.3	29%	0.285	42%	0.417	S	S	.	.	H	α-helix	trans	-58.3	-40.9	175.8	169.9	0	0	0	0	110.8	P449 A615 M616 Q622 R623	P449-V619 HydrophobicContact CB-CG1 4.12Å; P449-V619 HydrophobicContact CG-CG1 4.05Å; A615-V619 WeakPolarHBondContact O-CG2 3.41Å; A615-V619 PolarHBondContact O-N 3.07Å; M616-V619 PolarHBondContact O-N 3.49Å; V619-Q622 PolarHBondContact O-N 3.36Å; V619-R623 WeakPolarHBondContact O-CG 3.27Å; V619-R623 PolarHBondContact O-N 2.95Å; V619-R623 VanDerWaalsContact O-N 3.07Å
620	C	72.4	Confident	70.9	Confident	8 Å²	8	83.1 Å²	83.1	5%	0.054	43%	0.432	C	S	.	.	H	α-helix	trans	-67.8	-33.8	177.9	-161.5	0	0	0	0	112.1	P449 R453 I489 M616 A617 S618 R623 A624	P449-C620 HydrophobicContact CB-CB 4.34Å; P449-C620 WeakPolarHBondContact O-CB 3.42Å; P449-C620 PolarHBondContact O-SG 2.99Å; R453-C620 HydrophobicContact CB-CB 4.4Å; R453-C620 PolarHBondContact NE-SG 2.83Å; I489-C620 VanDerWaalsContact CD1-O 3.22Å; I489-C620 WeakPolarHBondContact CD1-O 3.45Å; M616-C620 WeakPolarHBondContact O-CB 3.29Å; M616-C620 PolarHBondContact O-N 3.15Å; A617-C620 PolarHBondContact O-N 2.92Å; S618-C620 VanDerWaalsContact C-N 3.25Å; S618-C620 PolarHBondContact O-N 3.04Å; C620-R623 PolarHBondContact O-N 3.29Å; C620-A624 PolarHBondContact O-N 3.47Å
621	S	69.9	Low	68.3	Low	58 Å²	58	93.3 Å²	93.3	41%	0.406	47%	0.469	S	S	.	.	H	α-helix	trans	-68	-38.4	173.7	-72.2	0	0	0	0	112	R453 A617 S618 A624	R453-S621 PolarHBondContact NH2-OG 3.45Å; A617-S621 PolarHBondContact O-N 2.7Å; A617-S621 PolarHBondContact O-OG 3.06Å; S618-S621 WeakPolarHBondContact O-CB 3.46Å; S618-S621 PolarHBondContact O-N 3.22Å; S618-S621 VanDerWaalsContact O-N 3.08Å; S621-A624 VanDerWaalsContact O-CB 3.29Å; S621-A624 WeakPolarHBondContact O-CB 3.46Å; S621-A624 PolarHBondContact O-N 3.08Å
622	Q	63.1	Low	65.8	Low	136 Å²	136	99.8 Å²	99.8	64%	0.636	51%	0.507	S	S	*	.	H	α-helix	trans	-66.9	-37.7	176.8	-67.9	166.7	-2.2	0	0	111.5	S618 V619 A624 L625	S618-Q622 WeakPolarHBondContact O-CG 3.42Å; S618-Q622 PolarHBondContact O-N 3.33Å; V619-Q622 PolarHBondContact O-N 3.36Å; Q622-A624 PolarHBondContact O-N 3.04Å; Q622-L625 PolarHBondContact O-N 3.08Å
623	R	60.1	Low	64.3	Low	165 Å²	165	104.8 Å²	104.8	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-68.7	-14	174.2	-69.8	179.2	-175.8	-169.9	1.7	114.3	V619 C620 L625 P626	V619-R623 WeakPolarHBondContact O-CG 3.27Å; V619-R623 PolarHBondContact O-N 2.95Å; V619-R623 VanDerWaalsContact O-N 3.07Å; C620-R623 PolarHBondContact O-N 3.29Å; R623-L625 VanDerWaalsContact C-N 3.26Å; R623-P626 WeakPolarHBondContact O-CD 3.44Å
624	A	55.4	Low	62.7	Low	36 Å²	36	110.2 Å²	110.2	30%	0.298	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.5	-9	169.6	0	0	0	0	0	113.4	A487 I489 C620 S621 Q622 P626	A487-A624 HydrophobicContact CB-CB 3.81Å; I489-A624 HydrophobicContact CD1-CB 3.77Å; C620-A624 PolarHBondContact O-N 3.47Å; S621-A624 VanDerWaalsContact O-CB 3.29Å; S621-A624 WeakPolarHBondContact O-CB 3.46Å; S621-A624 PolarHBondContact O-N 3.08Å; Q622-A624 PolarHBondContact O-N 3.04Å; A624-P626 VanDerWaalsContact C-CD 3.49Å
625	L	49.7	Very low	61	Low	149 Å²	149	111.1 Å²	111.1	78%	0.78	57%	0.568	S	S	*	*			trans	-121.4	60.1	-172.5	-65.9	170.4	0	0	0	114.3	Q622 R623	Q622-L625 PolarHBondContact O-N 3.08Å; R623-L625 VanDerWaalsContact C-N 3.26Å
626	P	44	Very low	59.2	Low	105 Å²	105	115.8 Å²	115.8	68%	0.682	59%	0.587	S	S	*	*			trans	-115.7	152.3	158.5	37.6	-30.4	0	0	0	114.3	R623 A624	R623-P626 WeakPolarHBondContact O-CD 3.44Å; A624-P626 VanDerWaalsContact C-CD 3.49Å
627	D	41.5	Very low	57.3	Low	136 Å²	136	121.3 Å²	121.3	73%	0.727	62%	0.615	S	S	*	*			trans	79.1	71	165.7	-148.2	19.2	0	0	0	119.8
628	K	43	Very low	55.7	Low	212 Å²	212	128.1 Å²	128.1	92%	0.922	65%	0.646	S	S	*	*	S	Bend	trans	-130.2	13.7	151.5	-84.9	-161.8	173.8	-171.9	0	113.6
629	T	46.3	Very low	53.8	Low	125 Å²	125	132.7 Å²	132.7	77%	0.767	66%	0.66	S	S	*	*	S	Bend	trans	-142.8	64.5	-170.4	54.7	0	0	0	0	112.2
630	K	43.4	Very low	51.7	Low	193 Å²	193	139.3 Å²	139.3	84%	0.839	69%	0.689	S	S	*	*			trans	-173.5	82.4	149.2	-106.9	166.6	-175.3	-177.9	0	112.1
631	R	42.9	Very low	49.9	Very low	243 Å²	243	150.3 Å²	150.3	92%	0.917	74%	0.742	S	S	*	*			trans	-160.8	81.1	156.1	-107.1	-176.2	-165.1	-169.4	4.9	109.2
632	D	40.1	Very low	48.1	Very low	245 Å²	245	158.6 Å²	158.6	100%	1.31	77%	0.773	S	S	*	*			trans	-111.8	0	150.6	-61.5	-63.6	0	0	0	106.2

Retrieved 632 of 632 residues in 437.8 ms (Link to these results)

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